USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 770 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: B 7 THR OG1 : rot -68:sc= 0.931 USER MOD Set 1.2: B 9 THR OG1 : rot 180:sc= -0.0365 USER MOD Set 2.1: A 7 THR OG1 : rot -76:sc= 0.898 USER MOD Set 2.2: A 9 THR OG1 : rot -29:sc= 0.0247 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -2.23! (180deg=-2.93!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 25 ASN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -103:sc= -5.19! (180deg=-9.11!) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= -0.0207 (180deg=-0.221) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.65! C(o=-5.4!,f=-4.7!) USER MOD Single : A 33 LYS NZ :NH3+ -125:sc= -2.95! (180deg=-3.33!) USER MOD Single : A 40 GLN :FLIP amide:sc= -6.44! C(o=-14!,f=-6.4!) USER MOD Single : A 41 GLN : amide:sc= -5.93! C(o=-5.9!,f=-9!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN :FLIP amide:sc= -1.17 F(o=-1.9!,f=-1.2) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -149:sc= 0.086! (180deg=-1.04!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.119 USER MOD Single : B 25 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : B 27 LYS NZ :NH3+ -166:sc= -5.12! (180deg=-5.45!) USER MOD Single : B 29 LYS NZ :NH3+ -168:sc= -0.0313 (180deg=-0.232) USER MOD Single : B 31 GLN :FLIP amide:sc= -4.07! C(o=-5.3!,f=-4.1!) USER MOD Single : B 33 LYS NZ :NH3+ -119:sc= -2.51! (180deg=-3.34!) USER MOD Single : B 40 GLN :FLIP amide:sc= -8.13! C(o=-12!,f=-8.1!) USER MOD Single : B 41 GLN : amide:sc= -2.99! C(o=-3!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.664 -3.919 -12.045 1.00 0.00 N ATOM 22 CA MET A 1 2.042 -3.369 -10.846 1.00 0.00 C ATOM 23 C MET A 1 3.049 -2.545 -10.043 1.00 0.00 C ATOM 24 O MET A 1 3.245 -2.765 -8.847 1.00 0.00 O ATOM 25 CB MET A 1 1.463 -4.503 -9.990 1.00 0.00 C ATOM 26 CG MET A 1 0.802 -4.036 -8.703 1.00 0.00 C ATOM 27 SD MET A 1 -0.529 -2.856 -8.984 1.00 0.00 S ATOM 28 CE MET A 1 -0.977 -2.458 -7.295 1.00 0.00 C ATOM 0 H1 MET A 1 1.963 -4.475 -12.576 1.00 0.00 H new ATOM 0 H2 MET A 1 3.014 -3.143 -12.642 1.00 0.00 H new ATOM 0 H3 MET A 1 3.459 -4.532 -11.774 1.00 0.00 H new ATOM 0 HA MET A 1 1.230 -2.707 -11.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.732 -5.053 -10.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.263 -5.201 -9.742 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.407 -4.901 -8.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.554 -3.580 -8.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.793 -1.735 -7.296 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.296 -3.364 -6.780 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.115 -2.033 -6.781 1.00 0.00 H new ATOM 38 N GLN A 2 3.695 -1.592 -10.712 1.00 0.00 N ATOM 39 CA GLN A 2 4.679 -0.741 -10.058 1.00 0.00 C ATOM 40 C GLN A 2 4.040 0.070 -8.934 1.00 0.00 C ATOM 41 O GLN A 2 3.244 0.978 -9.171 1.00 0.00 O ATOM 42 CB GLN A 2 5.334 0.192 -11.081 1.00 0.00 C ATOM 43 CG GLN A 2 4.343 1.050 -11.851 1.00 0.00 C ATOM 44 CD GLN A 2 5.014 1.933 -12.884 1.00 0.00 C ATOM 45 OE1 GLN A 2 5.685 1.444 -13.794 1.00 0.00 O ATOM 46 NE2 GLN A 2 4.837 3.242 -12.750 1.00 0.00 N ATOM 0 H GLN A 2 3.554 -1.392 -11.702 1.00 0.00 H new ATOM 0 HA GLN A 2 5.446 -1.380 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.040 0.843 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.909 -0.406 -11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.618 0.404 -12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.788 1.674 -11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.273 3.604 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.265 3.885 -13.416 1.00 0.00 H new ATOM 55 N ILE A 3 4.406 -0.276 -7.708 1.00 0.00 N ATOM 56 CA ILE A 3 3.899 0.392 -6.521 1.00 0.00 C ATOM 57 C ILE A 3 4.499 1.784 -6.377 1.00 0.00 C ATOM 58 O ILE A 3 5.658 2.010 -6.727 1.00 0.00 O ATOM 59 CB ILE A 3 4.221 -0.426 -5.254 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.732 -0.642 -5.130 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.487 -1.758 -5.287 1.00 0.00 C ATOM 62 CD1 ILE A 3 6.143 -1.360 -3.864 1.00 0.00 C ATOM 0 H ILE A 3 5.064 -1.029 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 3 2.818 0.478 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 3 3.883 0.131 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.080 -1.214 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.232 0.326 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.723 -2.326 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.413 -1.580 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.799 -2.324 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.227 -1.476 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.827 -0.779 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.672 -2.343 -3.834 1.00 0.00 H new ATOM 74 N PHE A 4 3.711 2.712 -5.846 1.00 0.00 N ATOM 75 CA PHE A 4 4.179 4.075 -5.641 1.00 0.00 C ATOM 76 C PHE A 4 4.854 4.183 -4.281 1.00 0.00 C ATOM 77 O PHE A 4 4.309 3.739 -3.271 1.00 0.00 O ATOM 78 CB PHE A 4 3.016 5.069 -5.732 1.00 0.00 C ATOM 79 CG PHE A 4 2.394 5.162 -7.100 1.00 0.00 C ATOM 80 CD1 PHE A 4 1.924 4.030 -7.748 1.00 0.00 C ATOM 81 CD2 PHE A 4 2.275 6.389 -7.735 1.00 0.00 C ATOM 82 CE1 PHE A 4 1.349 4.120 -9.002 1.00 0.00 C ATOM 83 CE2 PHE A 4 1.702 6.485 -8.988 1.00 0.00 C ATOM 84 CZ PHE A 4 1.239 5.349 -9.623 1.00 0.00 C ATOM 0 H PHE A 4 2.749 2.545 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 4 4.898 4.320 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.248 4.780 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.372 6.056 -5.438 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.008 3.066 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.635 7.281 -7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.986 3.230 -9.496 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.616 7.447 -9.471 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.792 5.422 -10.603 1.00 0.00 H new ATOM 94 N VAL A 5 6.051 4.755 -4.262 1.00 0.00 N ATOM 95 CA VAL A 5 6.809 4.895 -3.025 1.00 0.00 C ATOM 96 C VAL A 5 7.598 6.198 -3.009 1.00 0.00 C ATOM 97 O VAL A 5 7.993 6.710 -4.057 1.00 0.00 O ATOM 98 CB VAL A 5 7.785 3.713 -2.831 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.576 3.868 -1.541 1.00 0.00 C ATOM 100 CG2 VAL A 5 7.039 2.387 -2.845 1.00 0.00 C ATOM 0 H VAL A 5 6.518 5.129 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 5 6.087 4.902 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 5 8.488 3.718 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.256 3.024 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.150 4.794 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.890 3.898 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.747 1.570 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.307 2.373 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.528 2.267 -3.800 1.00 0.00 H new ATOM 110 N LYS A 6 7.825 6.729 -1.814 1.00 0.00 N ATOM 111 CA LYS A 6 8.573 7.968 -1.658 1.00 0.00 C ATOM 112 C LYS A 6 9.815 7.733 -0.806 1.00 0.00 C ATOM 113 O LYS A 6 9.716 7.352 0.362 1.00 0.00 O ATOM 114 CB LYS A 6 7.693 9.044 -1.021 1.00 0.00 C ATOM 115 CG LYS A 6 8.394 10.382 -0.844 1.00 0.00 C ATOM 116 CD LYS A 6 7.474 11.420 -0.219 1.00 0.00 C ATOM 117 CE LYS A 6 6.273 11.712 -1.105 1.00 0.00 C ATOM 118 NZ LYS A 6 5.366 12.723 -0.496 1.00 0.00 N ATOM 0 H LYS A 6 7.501 6.319 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 6 8.885 8.311 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.806 9.188 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.351 8.692 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.275 10.251 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.743 10.741 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.132 11.065 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.030 12.341 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.616 12.070 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.721 10.789 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.560 12.894 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.018 12.371 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.886 13.612 -0.349 1.00 0.00 H new ATOM 132 N THR A 7 10.982 7.957 -1.397 1.00 0.00 N ATOM 133 CA THR A 7 12.245 7.765 -0.695 1.00 0.00 C ATOM 134 C THR A 7 12.431 8.805 0.401 1.00 0.00 C ATOM 135 O THR A 7 11.897 9.912 0.316 1.00 0.00 O ATOM 136 CB THR A 7 13.444 7.833 -1.659 1.00 0.00 C ATOM 137 OG1 THR A 7 13.483 9.110 -2.305 1.00 0.00 O ATOM 138 CG2 THR A 7 13.360 6.730 -2.704 1.00 0.00 C ATOM 0 H THR A 7 11.080 8.272 -2.362 1.00 0.00 H new ATOM 0 HA THR A 7 12.205 6.772 -0.247 1.00 0.00 H new ATOM 0 HB THR A 7 14.357 7.694 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.798 9.144 -3.005 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.217 6.798 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.362 5.759 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.441 6.842 -3.279 1.00 0.00 H new ATOM 146 N LEU A 8 13.190 8.441 1.430 1.00 0.00 N ATOM 147 CA LEU A 8 13.448 9.340 2.549 1.00 0.00 C ATOM 148 C LEU A 8 13.918 10.702 2.050 1.00 0.00 C ATOM 149 O LEU A 8 13.562 11.737 2.613 1.00 0.00 O ATOM 150 CB LEU A 8 14.507 8.747 3.481 1.00 0.00 C ATOM 151 CG LEU A 8 14.265 7.300 3.927 1.00 0.00 C ATOM 152 CD1 LEU A 8 15.227 6.922 5.039 1.00 0.00 C ATOM 153 CD2 LEU A 8 12.833 7.101 4.383 1.00 0.00 C ATOM 0 H LEU A 8 13.638 7.528 1.512 1.00 0.00 H new ATOM 0 HA LEU A 8 12.515 9.465 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.474 8.797 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.575 9.375 4.369 1.00 0.00 H new ATOM 0 HG LEU A 8 14.442 6.650 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.043 5.892 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.252 7.016 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.078 7.586 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.691 6.066 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.623 7.764 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.154 7.330 3.561 1.00 0.00 H new ATOM 165 N THR A 9 14.722 10.692 0.991 1.00 0.00 N ATOM 166 CA THR A 9 15.244 11.925 0.418 1.00 0.00 C ATOM 167 C THR A 9 14.128 12.762 -0.196 1.00 0.00 C ATOM 168 O THR A 9 14.065 13.974 0.014 1.00 0.00 O ATOM 169 CB THR A 9 16.308 11.638 -0.659 1.00 0.00 C ATOM 170 OG1 THR A 9 15.734 10.866 -1.721 1.00 0.00 O ATOM 171 CG2 THR A 9 17.492 10.891 -0.066 1.00 0.00 C ATOM 0 H THR A 9 15.025 9.843 0.513 1.00 0.00 H new ATOM 0 HA THR A 9 15.705 12.482 1.234 1.00 0.00 H new ATOM 0 HB THR A 9 16.661 12.591 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.010 10.309 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.229 10.700 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.945 11.493 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.152 9.943 0.352 1.00 0.00 H new ATOM 179 N GLY A 10 13.243 12.112 -0.949 1.00 0.00 N ATOM 180 CA GLY A 10 12.141 12.826 -1.568 1.00 0.00 C ATOM 181 C GLY A 10 11.777 12.299 -2.944 1.00 0.00 C ATOM 182 O GLY A 10 10.598 12.220 -3.291 1.00 0.00 O ATOM 0 H GLY A 10 13.270 11.110 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.267 12.762 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.401 13.881 -1.649 1.00 0.00 H new ATOM 186 N LYS A 11 12.791 11.958 -3.735 1.00 0.00 N ATOM 187 CA LYS A 11 12.575 11.456 -5.092 1.00 0.00 C ATOM 188 C LYS A 11 11.586 10.292 -5.112 1.00 0.00 C ATOM 189 O LYS A 11 11.622 9.415 -4.248 1.00 0.00 O ATOM 190 CB LYS A 11 13.898 11.007 -5.714 1.00 0.00 C ATOM 191 CG LYS A 11 14.485 9.768 -5.060 1.00 0.00 C ATOM 192 CD LYS A 11 15.714 9.272 -5.801 1.00 0.00 C ATOM 193 CE LYS A 11 16.233 7.970 -5.212 1.00 0.00 C ATOM 194 NZ LYS A 11 15.257 6.857 -5.373 1.00 0.00 N ATOM 0 H LYS A 11 13.772 12.020 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 11 12.155 12.275 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.743 10.810 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.619 11.822 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.749 9.992 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.733 8.979 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.471 9.125 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.497 10.030 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.172 7.702 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.450 8.112 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.443 6.126 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.291 7.222 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.355 6.444 -6.322 1.00 0.00 H new ATOM 208 N THR A 12 10.715 10.288 -6.116 1.00 0.00 N ATOM 209 CA THR A 12 9.724 9.229 -6.270 1.00 0.00 C ATOM 210 C THR A 12 10.384 7.942 -6.752 1.00 0.00 C ATOM 211 O THR A 12 11.376 7.978 -7.481 1.00 0.00 O ATOM 212 CB THR A 12 8.619 9.634 -7.264 1.00 0.00 C ATOM 213 OG1 THR A 12 8.013 10.864 -6.849 1.00 0.00 O ATOM 214 CG2 THR A 12 7.554 8.552 -7.365 1.00 0.00 C ATOM 0 H THR A 12 10.676 11.008 -6.837 1.00 0.00 H new ATOM 0 HA THR A 12 9.272 9.063 -5.292 1.00 0.00 H new ATOM 0 HB THR A 12 9.077 9.764 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.313 11.115 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.786 8.863 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.010 7.624 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.102 8.394 -6.386 1.00 0.00 H new ATOM 222 N ILE A 13 9.836 6.806 -6.336 1.00 0.00 N ATOM 223 CA ILE A 13 10.383 5.512 -6.722 1.00 0.00 C ATOM 224 C ILE A 13 9.294 4.537 -7.154 1.00 0.00 C ATOM 225 O ILE A 13 8.280 4.369 -6.475 1.00 0.00 O ATOM 226 CB ILE A 13 11.187 4.878 -5.569 1.00 0.00 C ATOM 227 CG1 ILE A 13 11.467 3.400 -5.854 1.00 0.00 C ATOM 228 CG2 ILE A 13 10.445 5.037 -4.254 1.00 0.00 C ATOM 229 CD1 ILE A 13 12.065 2.657 -4.678 1.00 0.00 C ATOM 0 H ILE A 13 9.015 6.755 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 13 11.043 5.701 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 13 12.142 5.397 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.537 2.913 -6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.146 3.325 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.026 4.584 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.300 6.097 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.475 4.545 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.236 1.616 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.012 3.119 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.378 2.700 -3.833 1.00 0.00 H new ATOM 241 N THR A 14 9.537 3.876 -8.280 1.00 0.00 N ATOM 242 CA THR A 14 8.613 2.883 -8.814 1.00 0.00 C ATOM 243 C THR A 14 9.163 1.483 -8.601 1.00 0.00 C ATOM 244 O THR A 14 10.375 1.269 -8.645 1.00 0.00 O ATOM 245 CB THR A 14 8.331 3.099 -10.311 1.00 0.00 C ATOM 246 OG1 THR A 14 9.488 3.640 -10.960 1.00 0.00 O ATOM 247 CG2 THR A 14 7.136 4.019 -10.511 1.00 0.00 C ATOM 0 H THR A 14 10.375 4.012 -8.845 1.00 0.00 H new ATOM 0 HA THR A 14 7.673 2.999 -8.274 1.00 0.00 H new ATOM 0 HB THR A 14 8.095 2.133 -10.757 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.297 3.772 -11.912 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.957 4.156 -11.577 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.254 3.575 -10.049 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.340 4.986 -10.050 1.00 0.00 H new ATOM 255 N LEU A 15 8.273 0.535 -8.351 1.00 0.00 N ATOM 256 CA LEU A 15 8.681 -0.840 -8.111 1.00 0.00 C ATOM 257 C LEU A 15 7.542 -1.799 -8.452 1.00 0.00 C ATOM 258 O LEU A 15 6.507 -1.802 -7.796 1.00 0.00 O ATOM 259 CB LEU A 15 9.098 -0.964 -6.635 1.00 0.00 C ATOM 260 CG LEU A 15 9.585 -2.338 -6.163 1.00 0.00 C ATOM 261 CD1 LEU A 15 10.111 -2.241 -4.740 1.00 0.00 C ATOM 262 CD2 LEU A 15 8.475 -3.367 -6.228 1.00 0.00 C ATOM 0 H LEU A 15 7.266 0.692 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 15 9.524 -1.105 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.890 -0.240 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.248 -0.675 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 15 10.387 -2.658 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.455 -3.222 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.941 -1.535 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.315 -1.897 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.852 -4.331 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.650 -3.053 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.123 -3.458 -7.256 1.00 0.00 H new ATOM 274 N GLU A 16 7.742 -2.613 -9.484 1.00 0.00 N ATOM 275 CA GLU A 16 6.728 -3.571 -9.914 1.00 0.00 C ATOM 276 C GLU A 16 6.730 -4.831 -9.048 1.00 0.00 C ATOM 277 O GLU A 16 7.785 -5.379 -8.729 1.00 0.00 O ATOM 278 CB GLU A 16 6.942 -3.944 -11.382 1.00 0.00 C ATOM 279 CG GLU A 16 8.285 -4.603 -11.656 1.00 0.00 C ATOM 280 CD GLU A 16 8.484 -4.938 -13.122 1.00 0.00 C ATOM 281 OE1 GLU A 16 7.598 -4.602 -13.935 1.00 0.00 O ATOM 282 OE2 GLU A 16 9.527 -5.535 -13.458 1.00 0.00 O ATOM 0 H GLU A 16 8.598 -2.629 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 16 5.756 -3.092 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.146 -4.619 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.857 -3.045 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.085 -3.939 -11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.365 -5.515 -11.065 1.00 0.00 H new ATOM 289 N VAL A 17 5.530 -5.284 -8.690 1.00 0.00 N ATOM 290 CA VAL A 17 5.350 -6.485 -7.875 1.00 0.00 C ATOM 291 C VAL A 17 3.952 -7.053 -8.069 1.00 0.00 C ATOM 292 O VAL A 17 2.986 -6.308 -8.225 1.00 0.00 O ATOM 293 CB VAL A 17 5.565 -6.217 -6.374 1.00 0.00 C ATOM 294 CG1 VAL A 17 7.045 -6.189 -6.034 1.00 0.00 C ATOM 295 CG2 VAL A 17 4.893 -4.917 -5.970 1.00 0.00 C ATOM 0 H VAL A 17 4.656 -4.830 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 17 6.103 -7.199 -8.208 1.00 0.00 H new ATOM 0 HB VAL A 17 5.109 -7.031 -5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.170 -5.998 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.494 -7.150 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.534 -5.399 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.053 -4.740 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.319 -4.094 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.824 -4.983 -6.170 1.00 0.00 H new ATOM 305 N GLU A 18 3.850 -8.375 -8.065 1.00 0.00 N ATOM 306 CA GLU A 18 2.570 -9.040 -8.252 1.00 0.00 C ATOM 307 C GLU A 18 1.599 -8.694 -7.126 1.00 0.00 C ATOM 308 O GLU A 18 1.960 -8.734 -5.950 1.00 0.00 O ATOM 309 CB GLU A 18 2.771 -10.552 -8.324 1.00 0.00 C ATOM 310 CG GLU A 18 3.769 -10.974 -9.388 1.00 0.00 C ATOM 311 CD GLU A 18 3.966 -12.476 -9.443 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.976 -13.196 -9.689 1.00 0.00 O ATOM 313 OE2 GLU A 18 5.111 -12.932 -9.240 1.00 0.00 O ATOM 0 H GLU A 18 4.639 -9.008 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 18 2.140 -8.689 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.110 -10.913 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.812 -11.030 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.428 -10.621 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.727 -10.493 -9.193 1.00 0.00 H new ATOM 320 N PRO A 19 0.347 -8.356 -7.475 1.00 0.00 N ATOM 321 CA PRO A 19 -0.684 -8.009 -6.491 1.00 0.00 C ATOM 322 C PRO A 19 -0.871 -9.108 -5.455 1.00 0.00 C ATOM 323 O PRO A 19 -1.073 -8.839 -4.271 1.00 0.00 O ATOM 324 CB PRO A 19 -1.962 -7.860 -7.328 1.00 0.00 C ATOM 325 CG PRO A 19 -1.645 -8.456 -8.659 1.00 0.00 C ATOM 326 CD PRO A 19 -0.167 -8.289 -8.850 1.00 0.00 C ATOM 0 HA PRO A 19 -0.421 -7.111 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.800 -8.375 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.246 -6.812 -7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.925 -9.509 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.199 -7.954 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.252 -9.076 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.075 -7.339 -9.327 1.00 0.00 H new ATOM 334 N SER A 20 -0.802 -10.347 -5.920 1.00 0.00 N ATOM 335 CA SER A 20 -0.965 -11.506 -5.057 1.00 0.00 C ATOM 336 C SER A 20 0.162 -11.586 -4.033 1.00 0.00 C ATOM 337 O SER A 20 -0.035 -12.064 -2.917 1.00 0.00 O ATOM 338 CB SER A 20 -1.006 -12.776 -5.902 1.00 0.00 C ATOM 339 OG SER A 20 -1.176 -13.927 -5.092 1.00 0.00 O ATOM 0 H SER A 20 -0.633 -10.576 -6.900 1.00 0.00 H new ATOM 0 HA SER A 20 -1.905 -11.406 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.822 -12.711 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.083 -12.865 -6.475 1.00 0.00 H new ATOM 0 HG SER A 20 -1.200 -14.726 -5.659 1.00 0.00 H new ATOM 345 N ASP A 21 1.344 -11.114 -4.423 1.00 0.00 N ATOM 346 CA ASP A 21 2.502 -11.130 -3.538 1.00 0.00 C ATOM 347 C ASP A 21 2.171 -10.479 -2.197 1.00 0.00 C ATOM 348 O ASP A 21 1.535 -9.425 -2.146 1.00 0.00 O ATOM 349 CB ASP A 21 3.685 -10.419 -4.200 1.00 0.00 C ATOM 350 CG ASP A 21 4.219 -11.178 -5.399 1.00 0.00 C ATOM 351 OD1 ASP A 21 3.674 -12.257 -5.712 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.187 -10.693 -6.024 1.00 0.00 O ATOM 0 H ASP A 21 1.523 -10.717 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 21 2.777 -12.168 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.377 -9.421 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.484 -10.291 -3.469 1.00 0.00 H new ATOM 357 N THR A 22 2.596 -11.124 -1.115 1.00 0.00 N ATOM 358 CA THR A 22 2.340 -10.628 0.234 1.00 0.00 C ATOM 359 C THR A 22 2.874 -9.215 0.427 1.00 0.00 C ATOM 360 O THR A 22 3.924 -8.858 -0.105 1.00 0.00 O ATOM 361 CB THR A 22 2.966 -11.549 1.297 1.00 0.00 C ATOM 362 OG1 THR A 22 4.380 -11.644 1.096 1.00 0.00 O ATOM 363 CG2 THR A 22 2.346 -12.935 1.237 1.00 0.00 C ATOM 0 H THR A 22 3.123 -11.997 -1.147 1.00 0.00 H new ATOM 0 HA THR A 22 1.257 -10.616 0.358 1.00 0.00 H new ATOM 0 HB THR A 22 2.770 -11.120 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.769 -12.231 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.802 -13.571 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.274 -12.862 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.517 -13.368 0.251 1.00 0.00 H new ATOM 371 N ILE A 23 2.139 -8.419 1.198 1.00 0.00 N ATOM 372 CA ILE A 23 2.531 -7.040 1.471 1.00 0.00 C ATOM 373 C ILE A 23 3.919 -6.980 2.099 1.00 0.00 C ATOM 374 O ILE A 23 4.747 -6.155 1.715 1.00 0.00 O ATOM 375 CB ILE A 23 1.526 -6.341 2.409 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.130 -6.331 1.781 1.00 0.00 C ATOM 377 CG2 ILE A 23 1.986 -4.924 2.718 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.918 -5.654 2.640 1.00 0.00 C ATOM 0 H ILE A 23 1.268 -8.705 1.645 1.00 0.00 H new ATOM 0 HA ILE A 23 2.542 -6.520 0.513 1.00 0.00 H new ATOM 0 HB ILE A 23 1.478 -6.897 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.179 -5.826 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.179 -7.358 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.266 -4.444 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.961 -4.956 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.061 -4.355 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.881 -5.685 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.996 -6.173 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.632 -4.616 2.812 1.00 0.00 H new ATOM 390 N GLU A 24 4.167 -7.860 3.067 1.00 0.00 N ATOM 391 CA GLU A 24 5.458 -7.906 3.744 1.00 0.00 C ATOM 392 C GLU A 24 6.586 -8.117 2.740 1.00 0.00 C ATOM 393 O GLU A 24 7.638 -7.485 2.832 1.00 0.00 O ATOM 394 CB GLU A 24 5.470 -9.019 4.795 1.00 0.00 C ATOM 395 CG GLU A 24 5.142 -10.393 4.232 1.00 0.00 C ATOM 396 CD GLU A 24 5.180 -11.482 5.287 1.00 0.00 C ATOM 397 OE1 GLU A 24 5.523 -11.174 6.447 1.00 0.00 O ATOM 398 OE2 GLU A 24 4.871 -12.644 4.951 1.00 0.00 O ATOM 0 H GLU A 24 3.492 -8.549 3.398 1.00 0.00 H new ATOM 0 HA GLU A 24 5.616 -6.950 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.453 -9.053 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.752 -8.776 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.152 -10.368 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.851 -10.635 3.440 1.00 0.00 H new ATOM 405 N ASN A 25 6.355 -9.004 1.777 1.00 0.00 N ATOM 406 CA ASN A 25 7.347 -9.294 0.750 1.00 0.00 C ATOM 407 C ASN A 25 7.581 -8.071 -0.133 1.00 0.00 C ATOM 408 O ASN A 25 8.721 -7.742 -0.464 1.00 0.00 O ATOM 409 CB ASN A 25 6.896 -10.480 -0.105 1.00 0.00 C ATOM 410 CG ASN A 25 7.871 -10.796 -1.221 1.00 0.00 C ATOM 411 OD1 ASN A 25 9.047 -11.059 -0.978 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.380 -10.776 -2.455 1.00 0.00 N ATOM 0 H ASN A 25 5.488 -9.534 1.687 1.00 0.00 H new ATOM 0 HA ASN A 25 8.285 -9.551 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.779 -11.358 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.917 -10.264 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.986 -10.984 -3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.397 -10.552 -2.609 1.00 0.00 H new ATOM 419 N VAL A 26 6.494 -7.401 -0.506 1.00 0.00 N ATOM 420 CA VAL A 26 6.580 -6.212 -1.347 1.00 0.00 C ATOM 421 C VAL A 26 7.420 -5.129 -0.677 1.00 0.00 C ATOM 422 O VAL A 26 8.335 -4.574 -1.285 1.00 0.00 O ATOM 423 CB VAL A 26 5.181 -5.645 -1.659 1.00 0.00 C ATOM 424 CG1 VAL A 26 5.279 -4.435 -2.566 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.303 -6.705 -2.294 1.00 0.00 C ATOM 0 H VAL A 26 5.545 -7.661 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 26 7.057 -6.513 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 26 4.727 -5.335 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.279 -4.053 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.870 -3.661 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.758 -4.720 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.320 -6.284 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.760 -7.047 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.197 -7.547 -1.610 1.00 0.00 H new ATOM 435 N LYS A 27 7.107 -4.842 0.583 1.00 0.00 N ATOM 436 CA LYS A 27 7.836 -3.835 1.344 1.00 0.00 C ATOM 437 C LYS A 27 9.300 -4.234 1.509 1.00 0.00 C ATOM 438 O LYS A 27 10.196 -3.393 1.427 1.00 0.00 O ATOM 439 CB LYS A 27 7.197 -3.635 2.720 1.00 0.00 C ATOM 440 CG LYS A 27 5.898 -2.843 2.694 1.00 0.00 C ATOM 441 CD LYS A 27 5.283 -2.753 4.083 1.00 0.00 C ATOM 442 CE LYS A 27 4.129 -1.765 4.127 1.00 0.00 C ATOM 443 NZ LYS A 27 3.086 -2.074 3.113 1.00 0.00 N ATOM 0 H LYS A 27 6.352 -5.294 1.099 1.00 0.00 H new ATOM 0 HA LYS A 27 7.789 -2.897 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.005 -4.611 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.909 -3.124 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.088 -1.840 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.193 -3.317 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.930 -3.738 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.047 -2.452 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.682 -1.776 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.509 -0.757 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.176 -1.418 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.208 -3.050 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.144 -1.970 3.541 1.00 0.00 H new ATOM 457 N ALA A 28 9.531 -5.521 1.746 1.00 0.00 N ATOM 458 CA ALA A 28 10.884 -6.038 1.927 1.00 0.00 C ATOM 459 C ALA A 28 11.769 -5.707 0.730 1.00 0.00 C ATOM 460 O ALA A 28 12.959 -5.436 0.884 1.00 0.00 O ATOM 461 CB ALA A 28 10.849 -7.540 2.164 1.00 0.00 C ATOM 0 H ALA A 28 8.798 -6.227 1.817 1.00 0.00 H new ATOM 0 HA ALA A 28 11.314 -5.553 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.865 -7.911 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.264 -7.754 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.392 -8.033 1.306 1.00 0.00 H new ATOM 467 N LYS A 29 11.181 -5.726 -0.462 1.00 0.00 N ATOM 468 CA LYS A 29 11.917 -5.419 -1.679 1.00 0.00 C ATOM 469 C LYS A 29 12.367 -3.968 -1.663 1.00 0.00 C ATOM 470 O LYS A 29 13.462 -3.644 -2.119 1.00 0.00 O ATOM 471 CB LYS A 29 11.055 -5.702 -2.912 1.00 0.00 C ATOM 472 CG LYS A 29 11.750 -5.393 -4.227 1.00 0.00 C ATOM 473 CD LYS A 29 10.915 -5.831 -5.420 1.00 0.00 C ATOM 474 CE LYS A 29 10.685 -7.335 -5.425 1.00 0.00 C ATOM 475 NZ LYS A 29 11.965 -8.093 -5.473 1.00 0.00 N ATOM 0 H LYS A 29 10.197 -5.951 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 29 12.799 -6.057 -1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.760 -6.751 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.140 -5.113 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.945 -4.323 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.717 -5.896 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.954 -5.316 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.416 -5.536 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.128 -7.620 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.071 -7.605 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.767 -9.096 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.567 -7.710 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.456 -8.003 -4.561 1.00 0.00 H new ATOM 489 N ILE A 30 11.521 -3.100 -1.116 1.00 0.00 N ATOM 490 CA ILE A 30 11.847 -1.687 -1.019 1.00 0.00 C ATOM 491 C ILE A 30 13.168 -1.519 -0.277 1.00 0.00 C ATOM 492 O ILE A 30 13.941 -0.605 -0.558 1.00 0.00 O ATOM 493 CB ILE A 30 10.741 -0.891 -0.297 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.382 -1.168 -0.946 1.00 0.00 C ATOM 495 CG2 ILE A 30 11.055 0.599 -0.332 1.00 0.00 C ATOM 496 CD1 ILE A 30 8.226 -0.471 -0.260 1.00 0.00 C ATOM 0 H ILE A 30 10.609 -3.352 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 30 11.932 -1.293 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 30 10.700 -1.211 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.417 -0.854 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.200 -2.243 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.266 1.149 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.008 0.782 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.116 0.934 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.297 -0.714 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.164 -0.803 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.384 0.607 -0.286 1.00 0.00 H new ATOM 508 N GLN A 31 13.431 -2.439 0.653 1.00 0.00 N ATOM 509 CA GLN A 31 14.674 -2.425 1.413 1.00 0.00 C ATOM 510 C GLN A 31 15.832 -2.580 0.450 1.00 0.00 C ATOM 511 O GLN A 31 16.765 -1.778 0.433 1.00 0.00 O ATOM 512 CB GLN A 31 14.701 -3.575 2.420 1.00 0.00 C ATOM 513 CG GLN A 31 13.533 -3.583 3.386 1.00 0.00 C ATOM 514 CD GLN A 31 13.534 -4.812 4.271 1.00 0.00 C ATOM 515 OE1 GLN A 31 13.787 -4.609 5.555 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 13.328 -5.932 3.803 1.00 0.00 N flip ATOM 0 H GLN A 31 12.798 -3.201 0.895 1.00 0.00 H new ATOM 0 HA GLN A 31 14.751 -1.483 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.714 -4.519 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.629 -3.522 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.572 -2.689 4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.599 -3.541 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.137 -6.041 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.348 -6.751 4.411 1.00 0.00 H new ATOM 525 N ASP A 32 15.741 -3.620 -0.371 1.00 0.00 N ATOM 526 CA ASP A 32 16.755 -3.890 -1.372 1.00 0.00 C ATOM 527 C ASP A 32 16.862 -2.698 -2.312 1.00 0.00 C ATOM 528 O ASP A 32 17.942 -2.352 -2.791 1.00 0.00 O ATOM 529 CB ASP A 32 16.406 -5.157 -2.159 1.00 0.00 C ATOM 530 CG ASP A 32 17.464 -5.518 -3.185 1.00 0.00 C ATOM 531 OD1 ASP A 32 17.699 -4.711 -4.108 1.00 0.00 O ATOM 532 OD2 ASP A 32 18.058 -6.611 -3.064 1.00 0.00 O ATOM 0 H ASP A 32 14.971 -4.289 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 32 17.714 -4.049 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.280 -5.988 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.450 -5.015 -2.663 1.00 0.00 H new ATOM 537 N LYS A 33 15.716 -2.073 -2.553 1.00 0.00 N ATOM 538 CA LYS A 33 15.625 -0.908 -3.417 1.00 0.00 C ATOM 539 C LYS A 33 16.370 0.284 -2.821 1.00 0.00 C ATOM 540 O LYS A 33 16.933 1.100 -3.550 1.00 0.00 O ATOM 541 CB LYS A 33 14.155 -0.557 -3.659 1.00 0.00 C ATOM 542 CG LYS A 33 13.445 -1.524 -4.592 1.00 0.00 C ATOM 543 CD LYS A 33 14.060 -1.513 -5.982 1.00 0.00 C ATOM 544 CE LYS A 33 13.349 -2.480 -6.916 1.00 0.00 C ATOM 545 NZ LYS A 33 13.432 -3.885 -6.429 1.00 0.00 N ATOM 0 H LYS A 33 14.823 -2.362 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 33 16.097 -1.148 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.632 -0.538 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.094 0.448 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.495 -2.532 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.390 -1.258 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.011 -0.505 -6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.115 -1.779 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.303 -2.190 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.790 -2.414 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.837 -4.487 -7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.038 -3.924 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.479 -4.226 -6.188 1.00 0.00 H new ATOM 559 N GLU A 34 16.369 0.383 -1.493 1.00 0.00 N ATOM 560 CA GLU A 34 17.048 1.481 -0.812 1.00 0.00 C ATOM 561 C GLU A 34 17.728 1.003 0.469 1.00 0.00 C ATOM 562 O GLU A 34 18.955 0.935 0.540 1.00 0.00 O ATOM 563 CB GLU A 34 16.054 2.598 -0.481 1.00 0.00 C ATOM 564 CG GLU A 34 15.388 3.212 -1.703 1.00 0.00 C ATOM 565 CD GLU A 34 16.371 3.910 -2.625 1.00 0.00 C ATOM 566 OE1 GLU A 34 17.573 3.963 -2.288 1.00 0.00 O ATOM 567 OE2 GLU A 34 15.936 4.410 -3.683 1.00 0.00 O ATOM 0 H GLU A 34 15.908 -0.281 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 34 17.814 1.866 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.283 2.201 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.574 3.382 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.869 2.431 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.633 3.927 -1.378 1.00 0.00 H new ATOM 574 N GLY A 35 16.927 0.671 1.479 1.00 0.00 N ATOM 575 CA GLY A 35 17.482 0.204 2.737 1.00 0.00 C ATOM 576 C GLY A 35 16.696 0.686 3.940 1.00 0.00 C ATOM 577 O GLY A 35 17.257 1.296 4.851 1.00 0.00 O ATOM 0 H GLY A 35 15.908 0.717 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.505 -0.886 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.514 0.545 2.823 1.00 0.00 H new ATOM 581 N ILE A 36 15.394 0.422 3.943 1.00 0.00 N ATOM 582 CA ILE A 36 14.531 0.839 5.037 1.00 0.00 C ATOM 583 C ILE A 36 13.529 -0.251 5.414 1.00 0.00 C ATOM 584 O ILE A 36 12.818 -0.776 4.561 1.00 0.00 O ATOM 585 CB ILE A 36 13.756 2.125 4.682 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.644 2.303 3.161 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.421 3.339 5.307 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.891 1.194 2.457 1.00 0.00 C ATOM 0 H ILE A 36 14.914 -0.081 3.197 1.00 0.00 H new ATOM 0 HA ILE A 36 15.184 1.032 5.888 1.00 0.00 H new ATOM 0 HB ILE A 36 12.749 2.030 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.148 3.251 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.647 2.369 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.860 4.236 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.440 3.226 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.441 3.427 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.859 1.398 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.397 0.244 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.875 1.140 2.847 1.00 0.00 H new ATOM 600 N PRO A 37 13.464 -0.602 6.712 1.00 0.00 N ATOM 601 CA PRO A 37 12.542 -1.626 7.217 1.00 0.00 C ATOM 602 C PRO A 37 11.135 -1.493 6.633 1.00 0.00 C ATOM 603 O PRO A 37 10.634 -0.383 6.452 1.00 0.00 O ATOM 604 CB PRO A 37 12.517 -1.339 8.714 1.00 0.00 C ATOM 605 CG PRO A 37 13.876 -0.814 9.011 1.00 0.00 C ATOM 606 CD PRO A 37 14.292 -0.031 7.794 1.00 0.00 C ATOM 0 HA PRO A 37 12.861 -2.634 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.746 -0.611 8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.305 -2.241 9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.865 -0.180 9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.574 -1.627 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.106 1.035 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.356 -0.146 7.588 1.00 0.00 H new ATOM 614 N PRO A 38 10.480 -2.627 6.327 1.00 0.00 N ATOM 615 CA PRO A 38 9.127 -2.634 5.757 1.00 0.00 C ATOM 616 C PRO A 38 8.111 -1.917 6.642 1.00 0.00 C ATOM 617 O PRO A 38 7.184 -1.279 6.142 1.00 0.00 O ATOM 618 CB PRO A 38 8.776 -4.124 5.644 1.00 0.00 C ATOM 619 CG PRO A 38 9.775 -4.844 6.486 1.00 0.00 C ATOM 620 CD PRO A 38 11.007 -3.988 6.509 1.00 0.00 C ATOM 0 HA PRO A 38 9.098 -2.105 4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.761 -4.314 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.824 -4.459 4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.392 -5.000 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.994 -5.828 6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.548 -4.087 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.700 -4.260 5.713 1.00 0.00 H new ATOM 628 N ASP A 39 8.286 -2.029 7.954 1.00 0.00 N ATOM 629 CA ASP A 39 7.379 -1.395 8.903 1.00 0.00 C ATOM 630 C ASP A 39 7.356 0.116 8.713 1.00 0.00 C ATOM 631 O ASP A 39 6.308 0.752 8.837 1.00 0.00 O ATOM 632 CB ASP A 39 7.792 -1.732 10.338 1.00 0.00 C ATOM 633 CG ASP A 39 7.757 -3.223 10.615 1.00 0.00 C ATOM 634 OD1 ASP A 39 6.672 -3.825 10.485 1.00 0.00 O ATOM 635 OD2 ASP A 39 8.817 -3.787 10.961 1.00 0.00 O ATOM 0 H ASP A 39 9.048 -2.553 8.384 1.00 0.00 H new ATOM 0 HA ASP A 39 6.376 -1.780 8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.798 -1.355 10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.127 -1.220 11.034 1.00 0.00 H new ATOM 640 N GLN A 40 8.519 0.687 8.417 1.00 0.00 N ATOM 641 CA GLN A 40 8.636 2.124 8.217 1.00 0.00 C ATOM 642 C GLN A 40 7.767 2.602 7.056 1.00 0.00 C ATOM 643 O GLN A 40 7.079 3.617 7.168 1.00 0.00 O ATOM 644 CB GLN A 40 10.093 2.501 7.969 1.00 0.00 C ATOM 645 CG GLN A 40 10.992 2.275 9.174 1.00 0.00 C ATOM 646 CD GLN A 40 12.465 2.351 8.827 1.00 0.00 C ATOM 647 OE1 GLN A 40 12.766 2.471 7.538 1.00 0.00 O flip ATOM 648 NE2 GLN A 40 13.325 2.291 9.706 1.00 0.00 N flip ATOM 0 H GLN A 40 9.394 0.174 8.311 1.00 0.00 H new ATOM 0 HA GLN A 40 8.283 2.617 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.472 1.920 7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.144 3.551 7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.764 3.019 9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.775 1.298 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.049 2.199 10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.313 2.333 9.456 1.00 0.00 H new ATOM 657 N GLN A 41 7.805 1.872 5.944 1.00 0.00 N ATOM 658 CA GLN A 41 7.017 2.237 4.769 1.00 0.00 C ATOM 659 C GLN A 41 5.544 2.390 5.132 1.00 0.00 C ATOM 660 O GLN A 41 4.936 1.481 5.693 1.00 0.00 O ATOM 661 CB GLN A 41 7.168 1.190 3.662 1.00 0.00 C ATOM 662 CG GLN A 41 8.529 1.191 2.978 1.00 0.00 C ATOM 663 CD GLN A 41 9.665 0.819 3.909 1.00 0.00 C ATOM 664 OE1 GLN A 41 10.030 1.583 4.803 1.00 0.00 O ATOM 665 NE2 GLN A 41 10.227 -0.365 3.707 1.00 0.00 N ATOM 0 H GLN A 41 8.369 1.030 5.832 1.00 0.00 H new ATOM 0 HA GLN A 41 7.393 3.192 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.988 0.202 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.397 1.359 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.509 0.492 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.718 2.180 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.893 -0.966 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.994 -0.674 4.305 1.00 0.00 H new ATOM 674 N ARG A 42 4.980 3.549 4.807 1.00 0.00 N ATOM 675 CA ARG A 42 3.584 3.823 5.099 1.00 0.00 C ATOM 676 C ARG A 42 2.678 3.303 3.996 1.00 0.00 C ATOM 677 O ARG A 42 2.808 3.700 2.841 1.00 0.00 O ATOM 678 CB ARG A 42 3.357 5.323 5.277 1.00 0.00 C ATOM 679 CG ARG A 42 4.131 5.928 6.437 1.00 0.00 C ATOM 680 CD ARG A 42 3.848 7.415 6.577 1.00 0.00 C ATOM 681 NE ARG A 42 4.573 8.012 7.696 1.00 0.00 N ATOM 682 CZ ARG A 42 4.388 7.666 8.968 1.00 0.00 C ATOM 683 NH1 ARG A 42 3.492 6.742 9.287 1.00 0.00 N ATOM 684 NH2 ARG A 42 5.096 8.252 9.924 1.00 0.00 N ATOM 0 H ARG A 42 5.472 4.312 4.341 1.00 0.00 H new ATOM 0 HA ARG A 42 3.337 3.307 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.640 5.835 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.293 5.504 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.863 5.416 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.199 5.772 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.125 7.924 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.778 7.568 6.717 1.00 0.00 H new ATOM 0 HE ARG A 42 5.261 8.736 7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.940 6.293 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.354 6.481 10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.782 8.968 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.954 7.987 10.899 1.00 0.00 H new ATOM 698 N LEU A 43 1.748 2.428 4.357 1.00 0.00 N ATOM 699 CA LEU A 43 0.817 1.876 3.386 1.00 0.00 C ATOM 700 C LEU A 43 -0.362 2.825 3.195 1.00 0.00 C ATOM 701 O LEU A 43 -0.929 3.324 4.167 1.00 0.00 O ATOM 702 CB LEU A 43 0.330 0.498 3.836 1.00 0.00 C ATOM 703 CG LEU A 43 -0.244 -0.373 2.719 1.00 0.00 C ATOM 704 CD1 LEU A 43 0.773 -0.528 1.600 1.00 0.00 C ATOM 705 CD2 LEU A 43 -0.655 -1.734 3.262 1.00 0.00 C ATOM 0 H LEU A 43 1.620 2.088 5.310 1.00 0.00 H new ATOM 0 HA LEU A 43 1.331 1.761 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.161 -0.032 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.433 0.630 4.603 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.131 0.115 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.353 -1.150 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.021 0.453 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.675 -0.998 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.062 -2.341 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.215 -2.233 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.413 -1.604 4.034 1.00 0.00 H new ATOM 717 N ILE A 44 -0.718 3.088 1.939 1.00 0.00 N ATOM 718 CA ILE A 44 -1.817 3.999 1.636 1.00 0.00 C ATOM 719 C ILE A 44 -2.622 3.529 0.426 1.00 0.00 C ATOM 720 O ILE A 44 -2.070 2.961 -0.516 1.00 0.00 O ATOM 721 CB ILE A 44 -1.298 5.427 1.370 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.524 5.942 2.586 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.453 6.361 1.038 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.079 7.313 2.388 1.00 0.00 C ATOM 0 H ILE A 44 -0.263 2.685 1.120 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.467 4.006 2.511 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.624 5.399 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.193 5.970 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.272 5.236 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.068 7.364 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.968 6.000 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.151 6.388 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.611 7.610 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.774 7.287 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.713 8.032 2.180 1.00 0.00 H new ATOM 736 N PHE A 45 -3.930 3.778 0.463 1.00 0.00 N ATOM 737 CA PHE A 45 -4.825 3.393 -0.626 1.00 0.00 C ATOM 738 C PHE A 45 -5.757 4.550 -0.977 1.00 0.00 C ATOM 739 O PHE A 45 -6.243 5.249 -0.088 1.00 0.00 O ATOM 740 CB PHE A 45 -5.663 2.169 -0.241 1.00 0.00 C ATOM 741 CG PHE A 45 -4.858 0.987 0.221 1.00 0.00 C ATOM 742 CD1 PHE A 45 -4.250 0.988 1.466 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.712 -0.126 -0.590 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.511 -0.098 1.893 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.973 -1.215 -0.167 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.372 -1.201 1.075 1.00 0.00 C ATOM 0 H PHE A 45 -4.395 4.247 1.240 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.211 3.142 -1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.357 2.453 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.264 1.871 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.355 1.848 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.180 -0.143 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.042 -0.084 2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.866 -2.077 -0.809 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.794 -2.051 1.406 1.00 0.00 H new ATOM 756 N ALA A 46 -6.008 4.754 -2.268 1.00 0.00 N ATOM 757 CA ALA A 46 -6.889 5.837 -2.699 1.00 0.00 C ATOM 758 C ALA A 46 -7.551 5.525 -4.037 1.00 0.00 C ATOM 759 O ALA A 46 -6.879 5.346 -5.052 1.00 0.00 O ATOM 760 CB ALA A 46 -6.109 7.141 -2.789 1.00 0.00 C ATOM 0 H ALA A 46 -5.620 4.192 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.679 5.940 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.775 7.942 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.694 7.385 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.299 7.031 -3.510 1.00 0.00 H new ATOM 766 N GLY A 47 -8.880 5.469 -4.027 1.00 0.00 N ATOM 767 CA GLY A 47 -9.625 5.186 -5.240 1.00 0.00 C ATOM 768 C GLY A 47 -9.689 6.374 -6.178 1.00 0.00 C ATOM 769 O GLY A 47 -9.879 7.508 -5.739 1.00 0.00 O ATOM 0 H GLY A 47 -9.455 5.615 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.163 4.345 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.638 4.881 -4.977 1.00 0.00 H new ATOM 868 N MET B 1 -2.714 -3.956 12.098 1.00 0.00 N ATOM 869 CA MET B 1 -2.081 -3.423 10.898 1.00 0.00 C ATOM 870 C MET B 1 -3.075 -2.594 10.084 1.00 0.00 C ATOM 871 O MET B 1 -3.255 -2.807 8.885 1.00 0.00 O ATOM 872 CB MET B 1 -1.509 -4.569 10.053 1.00 0.00 C ATOM 873 CG MET B 1 -0.838 -4.120 8.764 1.00 0.00 C ATOM 874 SD MET B 1 0.497 -2.942 9.039 1.00 0.00 S ATOM 875 CE MET B 1 0.945 -2.553 7.349 1.00 0.00 C ATOM 0 H1 MET B 1 -2.022 -4.516 12.636 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.058 -3.171 12.687 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.515 -4.562 11.828 1.00 0.00 H new ATOM 0 HA MET B 1 -1.263 -2.767 11.197 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.785 -5.121 10.653 1.00 0.00 H new ATOM 0 HB3 MET B 1 -2.314 -5.261 9.808 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.444 -4.993 8.243 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.584 -3.669 8.110 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.763 -1.832 7.346 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.261 -3.462 6.838 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.084 -2.127 6.833 1.00 0.00 H new ATOM 885 N GLN B 2 -3.727 -1.646 10.751 1.00 0.00 N ATOM 886 CA GLN B 2 -4.701 -0.788 10.094 1.00 0.00 C ATOM 887 C GLN B 2 -4.051 0.031 8.981 1.00 0.00 C ATOM 888 O GLN B 2 -3.259 0.940 9.232 1.00 0.00 O ATOM 889 CB GLN B 2 -5.358 0.138 11.121 1.00 0.00 C ATOM 890 CG GLN B 2 -4.364 0.964 11.923 1.00 0.00 C ATOM 891 CD GLN B 2 -5.037 1.847 12.956 1.00 0.00 C ATOM 892 OE1 GLN B 2 -4.828 3.154 12.842 1.00 0.00 O flip ATOM 893 NE2 GLN B 2 -5.735 1.362 13.845 1.00 0.00 N flip ATOM 0 H GLN B 2 -3.597 -1.455 11.744 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.465 -1.421 9.642 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -6.043 0.811 10.605 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.956 -0.461 11.807 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.663 0.296 12.423 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.782 1.586 11.243 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.868 0.352 13.895 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.180 1.970 14.532 1.00 0.00 H new ATOM 902 N ILE B 3 -4.406 -0.305 7.748 1.00 0.00 N ATOM 903 CA ILE B 3 -3.889 0.374 6.572 1.00 0.00 C ATOM 904 C ILE B 3 -4.498 1.762 6.429 1.00 0.00 C ATOM 905 O ILE B 3 -5.655 1.982 6.785 1.00 0.00 O ATOM 906 CB ILE B 3 -4.187 -0.435 5.293 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.695 -0.653 5.142 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.450 -1.766 5.327 1.00 0.00 C ATOM 909 CD1 ILE B 3 -6.084 -1.380 3.873 1.00 0.00 C ATOM 0 H ILE B 3 -5.062 -1.057 7.537 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.811 0.465 6.701 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.835 0.130 4.430 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.058 -1.219 6.000 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.196 0.315 5.163 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.669 -2.327 4.418 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.377 -1.586 5.392 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.775 -2.340 6.195 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.167 -1.497 3.838 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.753 -0.805 3.008 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.613 -2.363 3.858 1.00 0.00 H new ATOM 921 N PHE B 4 -3.718 2.691 5.890 1.00 0.00 N ATOM 922 CA PHE B 4 -4.192 4.051 5.685 1.00 0.00 C ATOM 923 C PHE B 4 -4.877 4.155 4.330 1.00 0.00 C ATOM 924 O PHE B 4 -4.335 3.717 3.315 1.00 0.00 O ATOM 925 CB PHE B 4 -3.031 5.049 5.768 1.00 0.00 C ATOM 926 CG PHE B 4 -2.398 5.142 7.131 1.00 0.00 C ATOM 927 CD1 PHE B 4 -1.925 4.009 7.776 1.00 0.00 C ATOM 928 CD2 PHE B 4 -2.273 6.369 7.764 1.00 0.00 C ATOM 929 CE1 PHE B 4 -1.342 4.098 9.025 1.00 0.00 C ATOM 930 CE2 PHE B 4 -1.689 6.464 9.013 1.00 0.00 C ATOM 931 CZ PHE B 4 -1.224 5.327 9.645 1.00 0.00 C ATOM 0 H PHE B 4 -2.758 2.527 5.588 1.00 0.00 H new ATOM 0 HA PHE B 4 -4.907 4.295 6.471 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.268 4.764 5.043 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.393 6.036 5.479 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.014 3.046 7.296 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -2.636 7.261 7.275 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -0.979 3.208 9.517 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -1.596 7.426 9.495 1.00 0.00 H new ATOM 0 HZ PHE B 4 -0.769 5.399 10.622 1.00 0.00 H new ATOM 941 N VAL B 5 -6.078 4.719 4.321 1.00 0.00 N ATOM 942 CA VAL B 5 -6.847 4.857 3.093 1.00 0.00 C ATOM 943 C VAL B 5 -7.594 6.184 3.060 1.00 0.00 C ATOM 944 O VAL B 5 -7.934 6.744 4.102 1.00 0.00 O ATOM 945 CB VAL B 5 -7.860 3.702 2.933 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.657 3.855 1.646 1.00 0.00 C ATOM 947 CG2 VAL B 5 -7.148 2.358 2.964 1.00 0.00 C ATOM 0 H VAL B 5 -6.540 5.088 5.152 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.137 4.824 2.267 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.556 3.743 3.771 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -9.364 3.030 1.555 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -9.202 4.799 1.665 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.977 3.846 0.794 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.878 1.557 2.850 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -6.426 2.310 2.149 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.629 2.243 3.916 1.00 0.00 H new ATOM 957 N LYS B 6 -7.850 6.678 1.855 1.00 0.00 N ATOM 958 CA LYS B 6 -8.566 7.932 1.677 1.00 0.00 C ATOM 959 C LYS B 6 -9.800 7.707 0.814 1.00 0.00 C ATOM 960 O LYS B 6 -9.695 7.312 -0.348 1.00 0.00 O ATOM 961 CB LYS B 6 -7.658 8.983 1.034 1.00 0.00 C ATOM 962 CG LYS B 6 -8.337 10.329 0.825 1.00 0.00 C ATOM 963 CD LYS B 6 -7.396 11.343 0.193 1.00 0.00 C ATOM 964 CE LYS B 6 -6.205 11.641 1.091 1.00 0.00 C ATOM 965 NZ LYS B 6 -5.284 12.638 0.481 1.00 0.00 N ATOM 0 H LYS B 6 -7.571 6.226 0.984 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.877 8.298 2.656 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -6.778 9.123 1.661 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -7.308 8.609 0.072 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -9.213 10.200 0.189 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -8.692 10.710 1.783 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -7.043 10.964 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -7.939 12.266 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -6.560 12.015 2.052 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.660 10.718 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.486 12.813 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.925 12.271 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.796 13.528 0.315 1.00 0.00 H new ATOM 979 N THR B 7 -10.969 7.951 1.391 1.00 0.00 N ATOM 980 CA THR B 7 -12.224 7.764 0.678 1.00 0.00 C ATOM 981 C THR B 7 -12.411 8.805 -0.415 1.00 0.00 C ATOM 982 O THR B 7 -11.922 9.930 -0.312 1.00 0.00 O ATOM 983 CB THR B 7 -13.434 7.815 1.629 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.466 9.070 2.319 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.378 6.676 2.634 1.00 0.00 C ATOM 0 H THR B 7 -11.074 8.279 2.351 1.00 0.00 H new ATOM 0 HA THR B 7 -12.170 6.775 0.223 1.00 0.00 H new ATOM 0 HB THR B 7 -14.341 7.709 1.034 1.00 0.00 H new ATOM 0 HG1 THR B 7 -12.710 9.121 2.940 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.242 6.732 3.296 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.387 5.723 2.105 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.464 6.755 3.223 1.00 0.00 H new ATOM 993 N LEU B 8 -13.130 8.412 -1.459 1.00 0.00 N ATOM 994 CA LEU B 8 -13.409 9.288 -2.588 1.00 0.00 C ATOM 995 C LEU B 8 -13.908 10.649 -2.113 1.00 0.00 C ATOM 996 O LEU B 8 -13.571 11.682 -2.690 1.00 0.00 O ATOM 997 CB LEU B 8 -14.454 8.632 -3.488 1.00 0.00 C ATOM 998 CG LEU B 8 -14.023 7.299 -4.099 1.00 0.00 C ATOM 999 CD1 LEU B 8 -15.225 6.425 -4.398 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -13.204 7.527 -5.356 1.00 0.00 C ATOM 0 H LEU B 8 -13.535 7.480 -1.546 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.487 9.444 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.364 8.474 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -14.704 9.322 -4.294 1.00 0.00 H new ATOM 0 HG LEU B 8 -13.400 6.780 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -14.891 5.483 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -15.769 6.226 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -15.881 6.937 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -12.907 6.566 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -13.802 8.073 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -12.314 8.106 -5.110 1.00 0.00 H new ATOM 1012 N THR B 9 -14.714 10.639 -1.054 1.00 0.00 N ATOM 1013 CA THR B 9 -15.259 11.872 -0.500 1.00 0.00 C ATOM 1014 C THR B 9 -14.157 12.734 0.106 1.00 0.00 C ATOM 1015 O THR B 9 -14.109 13.943 -0.122 1.00 0.00 O ATOM 1016 CB THR B 9 -16.320 11.583 0.577 1.00 0.00 C ATOM 1017 OG1 THR B 9 -15.740 10.825 1.645 1.00 0.00 O ATOM 1018 CG2 THR B 9 -17.496 10.820 -0.013 1.00 0.00 C ATOM 0 H THR B 9 -15.003 9.792 -0.565 1.00 0.00 H new ATOM 0 HA THR B 9 -15.727 12.410 -1.324 1.00 0.00 H new ATOM 0 HB THR B 9 -16.683 12.536 0.963 1.00 0.00 H new ATOM 0 HG1 THR B 9 -16.421 10.647 2.327 1.00 0.00 H new ATOM 0 HG21 THR B 9 -18.233 10.627 0.767 1.00 0.00 H new ATOM 0 HG22 THR B 9 -17.953 11.412 -0.806 1.00 0.00 H new ATOM 0 HG23 THR B 9 -17.146 9.873 -0.424 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.269 12.107 0.874 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.179 12.845 1.487 1.00 0.00 C ATOM 1028 C GLY B 10 -11.819 12.351 2.876 1.00 0.00 C ATOM 1029 O GLY B 10 -10.640 12.260 3.219 1.00 0.00 O ATOM 0 H GLY B 10 -13.285 11.108 1.081 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.300 12.777 0.847 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.451 13.899 1.544 1.00 0.00 H new ATOM 1033 N LYS B 11 -12.833 12.049 3.685 1.00 0.00 N ATOM 1034 CA LYS B 11 -12.608 11.584 5.051 1.00 0.00 C ATOM 1035 C LYS B 11 -11.674 10.378 5.089 1.00 0.00 C ATOM 1036 O LYS B 11 -11.743 9.493 4.237 1.00 0.00 O ATOM 1037 CB LYS B 11 -13.944 11.270 5.739 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.801 10.231 5.029 1.00 0.00 C ATOM 1039 CD LYS B 11 -14.426 8.814 5.429 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.473 7.813 4.967 1.00 0.00 C ATOM 1041 NZ LYS B 11 -15.129 6.424 5.374 1.00 0.00 N ATOM 0 H LYS B 11 -13.815 12.118 3.419 1.00 0.00 H new ATOM 0 HA LYS B 11 -12.118 12.388 5.600 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -13.742 10.922 6.752 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.517 12.193 5.827 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -15.851 10.407 5.261 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -14.690 10.345 3.951 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -13.459 8.556 4.998 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -14.318 8.756 6.512 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -16.443 8.084 5.384 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -15.567 7.861 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -15.498 5.754 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -14.095 6.327 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -15.553 6.219 6.301 1.00 0.00 H new ATOM 1055 N THR B 12 -10.787 10.367 6.081 1.00 0.00 N ATOM 1056 CA THR B 12 -9.817 9.290 6.240 1.00 0.00 C ATOM 1057 C THR B 12 -10.479 8.009 6.729 1.00 0.00 C ATOM 1058 O THR B 12 -11.456 8.042 7.476 1.00 0.00 O ATOM 1059 CB THR B 12 -8.699 9.684 7.226 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.083 10.906 6.805 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.645 8.590 7.321 1.00 0.00 C ATOM 0 H THR B 12 -10.721 11.097 6.790 1.00 0.00 H new ATOM 0 HA THR B 12 -9.384 9.113 5.256 1.00 0.00 H new ATOM 0 HB THR B 12 -9.148 9.820 8.210 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.375 11.150 7.437 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.868 8.893 8.023 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.109 7.667 7.669 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.202 8.425 6.339 1.00 0.00 H new ATOM 1069 N ILE B 13 -9.933 6.883 6.290 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.449 5.576 6.660 1.00 0.00 C ATOM 1071 C ILE B 13 -9.334 4.662 7.147 1.00 0.00 C ATOM 1072 O ILE B 13 -8.225 4.668 6.611 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.179 4.912 5.475 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -11.081 3.385 5.555 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -10.619 5.425 4.159 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.532 2.677 4.295 1.00 0.00 C ATOM 0 H ILE B 13 -9.124 6.852 5.670 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.159 5.728 7.473 1.00 0.00 H new ATOM 0 HB ILE B 13 -12.235 5.178 5.528 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.049 3.107 5.767 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -11.684 3.035 6.393 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -11.143 4.949 3.330 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.756 6.505 4.102 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.556 5.190 4.100 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -11.434 1.600 4.428 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -12.574 2.924 4.092 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -10.913 2.997 3.457 1.00 0.00 H new ATOM 1088 N THR B 14 -9.645 3.872 8.164 1.00 0.00 N ATOM 1089 CA THR B 14 -8.683 2.938 8.733 1.00 0.00 C ATOM 1090 C THR B 14 -9.199 1.511 8.598 1.00 0.00 C ATOM 1091 O THR B 14 -10.401 1.268 8.697 1.00 0.00 O ATOM 1092 CB THR B 14 -8.408 3.246 10.214 1.00 0.00 C ATOM 1093 OG1 THR B 14 -8.756 4.605 10.504 1.00 0.00 O ATOM 1094 CG2 THR B 14 -6.939 3.026 10.539 1.00 0.00 C ATOM 0 H THR B 14 -10.560 3.859 8.614 1.00 0.00 H new ATOM 0 HA THR B 14 -7.749 3.046 8.182 1.00 0.00 H new ATOM 0 HB THR B 14 -9.014 2.574 10.823 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.580 4.793 11.449 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.762 3.249 11.591 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.673 1.988 10.338 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.327 3.683 9.921 1.00 0.00 H new ATOM 1102 N LEU B 15 -8.293 0.570 8.354 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.684 -0.824 8.186 1.00 0.00 C ATOM 1104 C LEU B 15 -7.534 -1.776 8.508 1.00 0.00 C ATOM 1105 O LEU B 15 -6.530 -1.815 7.805 1.00 0.00 O ATOM 1106 CB LEU B 15 -9.162 -1.029 6.744 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.979 -2.437 6.171 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.731 -3.462 7.001 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -9.432 -2.478 4.721 1.00 0.00 C ATOM 0 H LEU B 15 -7.292 0.745 8.269 1.00 0.00 H new ATOM 0 HA LEU B 15 -9.490 -1.050 8.884 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.220 -0.772 6.693 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.631 -0.325 6.103 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.919 -2.689 6.210 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.585 -4.454 6.574 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.355 -3.449 8.024 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.794 -3.220 7.002 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.296 -3.485 4.326 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.485 -2.203 4.661 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.840 -1.775 4.135 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.700 -2.556 9.572 1.00 0.00 N ATOM 1122 CA GLU B 16 -6.689 -3.519 9.992 1.00 0.00 C ATOM 1123 C GLU B 16 -6.716 -4.776 9.124 1.00 0.00 C ATOM 1124 O GLU B 16 -7.779 -5.335 8.853 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.897 -3.892 11.460 1.00 0.00 C ATOM 1126 CG GLU B 16 -8.269 -4.481 11.751 1.00 0.00 C ATOM 1127 CD GLU B 16 -8.441 -4.871 13.205 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -7.702 -5.762 13.673 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -9.314 -4.283 13.877 1.00 0.00 O ATOM 0 H GLU B 16 -8.532 -2.539 10.162 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.712 -3.051 9.872 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -6.132 -4.611 11.755 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -6.754 -3.004 12.075 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -9.036 -3.756 11.480 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -8.424 -5.358 11.123 1.00 0.00 H new ATOM 1136 N VAL B 17 -5.531 -5.215 8.709 1.00 0.00 N ATOM 1137 CA VAL B 17 -5.382 -6.411 7.882 1.00 0.00 C ATOM 1138 C VAL B 17 -3.990 -7.004 8.060 1.00 0.00 C ATOM 1139 O VAL B 17 -3.008 -6.275 8.182 1.00 0.00 O ATOM 1140 CB VAL B 17 -5.610 -6.115 6.386 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -7.077 -5.831 6.102 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.741 -4.952 5.942 1.00 0.00 C ATOM 0 H VAL B 17 -4.649 -4.754 8.935 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.141 -7.121 8.211 1.00 0.00 H new ATOM 0 HB VAL B 17 -5.326 -6.999 5.815 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.209 -5.626 5.040 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.676 -6.698 6.381 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -7.399 -4.966 6.681 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.912 -4.753 4.884 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.995 -4.065 6.523 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.692 -5.201 6.100 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.911 -8.328 8.086 1.00 0.00 N ATOM 1153 CA GLU B 18 -2.637 -9.013 8.267 1.00 0.00 C ATOM 1154 C GLU B 18 -1.664 -8.685 7.137 1.00 0.00 C ATOM 1155 O GLU B 18 -2.033 -8.699 5.964 1.00 0.00 O ATOM 1156 CB GLU B 18 -2.859 -10.523 8.344 1.00 0.00 C ATOM 1157 CG GLU B 18 -3.853 -10.930 9.418 1.00 0.00 C ATOM 1158 CD GLU B 18 -4.062 -12.429 9.483 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -3.076 -13.156 9.727 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -5.212 -12.878 9.288 1.00 0.00 O ATOM 0 H GLU B 18 -4.714 -8.949 7.984 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.198 -8.664 9.202 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -3.212 -10.881 7.377 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.905 -11.014 8.537 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -3.501 -10.574 10.386 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -4.809 -10.442 9.227 1.00 0.00 H new ATOM 1167 N PRO B 19 -0.396 -8.393 7.482 1.00 0.00 N ATOM 1168 CA PRO B 19 0.641 -8.070 6.496 1.00 0.00 C ATOM 1169 C PRO B 19 0.817 -9.181 5.474 1.00 0.00 C ATOM 1170 O PRO B 19 1.016 -8.929 4.286 1.00 0.00 O ATOM 1171 CB PRO B 19 1.917 -7.931 7.336 1.00 0.00 C ATOM 1172 CG PRO B 19 1.600 -8.563 8.649 1.00 0.00 C ATOM 1173 CD PRO B 19 0.129 -8.361 8.856 1.00 0.00 C ATOM 0 HA PRO B 19 0.391 -7.175 5.927 1.00 0.00 H new ATOM 0 HB2 PRO B 19 2.760 -8.427 6.855 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.193 -6.884 7.461 1.00 0.00 H new ATOM 0 HG2 PRO B 19 1.852 -9.623 8.643 1.00 0.00 H new ATOM 0 HG3 PRO B 19 2.175 -8.103 9.453 1.00 0.00 H new ATOM 0 HD2 PRO B 19 -0.305 -9.147 9.474 1.00 0.00 H new ATOM 0 HD3 PRO B 19 -0.084 -7.413 9.350 1.00 0.00 H new ATOM 1181 N SER B 20 0.748 -10.413 5.955 1.00 0.00 N ATOM 1182 CA SER B 20 0.901 -11.585 5.108 1.00 0.00 C ATOM 1183 C SER B 20 -0.229 -11.671 4.089 1.00 0.00 C ATOM 1184 O SER B 20 -0.041 -12.182 2.985 1.00 0.00 O ATOM 1185 CB SER B 20 0.937 -12.844 5.970 1.00 0.00 C ATOM 1186 OG SER B 20 1.100 -14.006 5.176 1.00 0.00 O ATOM 0 H SER B 20 0.585 -10.628 6.939 1.00 0.00 H new ATOM 0 HA SER B 20 1.840 -11.499 4.562 1.00 0.00 H new ATOM 0 HB2 SER B 20 1.755 -12.773 6.687 1.00 0.00 H new ATOM 0 HB3 SER B 20 0.014 -12.920 6.545 1.00 0.00 H new ATOM 0 HG SER B 20 1.121 -14.797 5.754 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.400 -11.166 4.466 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.557 -11.184 3.581 1.00 0.00 C ATOM 1194 C ASP B 21 -2.219 -10.542 2.238 1.00 0.00 C ATOM 1195 O ASP B 21 -1.588 -9.485 2.185 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.737 -10.464 4.236 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.280 -11.213 5.437 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -3.738 -12.292 5.760 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.248 -10.722 6.055 1.00 0.00 O ATOM 0 H ASP B 21 -1.571 -10.740 5.377 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.838 -12.222 3.402 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.424 -9.467 4.545 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.533 -10.335 3.502 1.00 0.00 H new ATOM 1204 N THR B 22 -2.633 -11.198 1.158 1.00 0.00 N ATOM 1205 CA THR B 22 -2.368 -10.708 -0.190 1.00 0.00 C ATOM 1206 C THR B 22 -2.891 -9.292 -0.387 1.00 0.00 C ATOM 1207 O THR B 22 -3.947 -8.930 0.130 1.00 0.00 O ATOM 1208 CB THR B 22 -2.995 -11.626 -1.254 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.411 -11.713 -1.057 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.382 -13.014 -1.190 1.00 0.00 C ATOM 0 H THR B 22 -3.155 -12.074 1.191 1.00 0.00 H new ATOM 0 HA THR B 22 -1.285 -10.705 -0.310 1.00 0.00 H new ATOM 0 HB THR B 22 -2.795 -11.199 -2.237 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.801 -12.298 -1.740 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.838 -13.649 -1.950 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.309 -12.947 -1.370 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.558 -13.444 -0.204 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.140 -8.496 -1.142 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.521 -7.115 -1.416 1.00 0.00 C ATOM 1220 C ILE B 23 -3.899 -7.046 -2.065 1.00 0.00 C ATOM 1221 O ILE B 23 -4.724 -6.209 -1.700 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.498 -6.417 -2.335 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.107 -6.436 -1.699 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -1.936 -4.988 -2.620 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.955 -5.766 -2.545 1.00 0.00 C ATOM 0 H ILE B 23 -1.263 -8.784 -1.575 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.545 -6.598 -0.457 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.450 -6.960 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.153 -5.941 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.185 -7.470 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.205 -4.506 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -2.909 -4.997 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.008 -4.436 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.915 -5.817 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE B 23 1.030 -6.275 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.686 -4.722 -2.707 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.142 -7.932 -3.027 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.423 -7.972 -3.724 1.00 0.00 C ATOM 1239 C GLU B 24 -6.566 -8.170 -2.733 1.00 0.00 C ATOM 1240 O GLU B 24 -7.608 -7.523 -2.836 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.427 -9.090 -4.769 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.208 -10.477 -4.184 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.196 -11.561 -5.242 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -4.303 -11.531 -6.114 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -6.082 -12.440 -5.202 1.00 0.00 O ATOM 0 H GLU B 24 -3.469 -8.631 -3.341 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.568 -7.019 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.379 -9.076 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -4.649 -8.889 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.263 -10.493 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -5.994 -10.690 -3.460 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.357 -9.062 -1.770 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.363 -9.340 -0.753 1.00 0.00 C ATOM 1254 C ASN B 25 -7.586 -8.116 0.131 1.00 0.00 C ATOM 1255 O ASN B 25 -8.721 -7.781 0.470 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.936 -10.535 0.102 1.00 0.00 C ATOM 1257 CG ASN B 25 -7.918 -10.834 1.217 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -9.099 -11.079 0.972 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.430 -10.821 2.452 1.00 0.00 N ATOM 0 H ASN B 25 -5.499 -9.605 -1.673 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.300 -9.581 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -6.835 -11.415 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -5.954 -10.338 0.531 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -8.041 -11.019 3.244 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -6.444 -10.613 2.609 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.492 -7.454 0.497 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.562 -6.266 1.339 1.00 0.00 C ATOM 1268 C VAL B 26 -7.392 -5.169 0.675 1.00 0.00 C ATOM 1269 O VAL B 26 -8.284 -4.592 1.298 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.155 -5.718 1.655 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -5.242 -4.440 2.466 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.334 -6.754 2.400 1.00 0.00 C ATOM 0 H VAL B 26 -5.546 -7.721 0.223 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.043 -6.564 2.271 1.00 0.00 H new ATOM 0 HB VAL B 26 -4.662 -5.493 0.709 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.237 -4.073 2.676 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.792 -3.687 1.901 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -5.759 -4.639 3.405 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.345 -6.349 2.614 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.832 -7.009 3.336 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.235 -7.649 1.786 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.100 -4.889 -0.594 1.00 0.00 N ATOM 1283 CA LYS B 27 -7.830 -3.865 -1.334 1.00 0.00 C ATOM 1284 C LYS B 27 -9.294 -4.262 -1.496 1.00 0.00 C ATOM 1285 O LYS B 27 -10.191 -3.426 -1.393 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.209 -3.638 -2.716 1.00 0.00 C ATOM 1287 CG LYS B 27 -5.744 -3.228 -2.694 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.265 -2.853 -4.088 1.00 0.00 C ATOM 1289 CE LYS B 27 -3.771 -2.579 -4.123 1.00 0.00 C ATOM 1290 NZ LYS B 27 -3.363 -1.548 -3.134 1.00 0.00 N ATOM 0 H LYS B 27 -6.366 -5.355 -1.128 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.768 -2.938 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.307 -4.554 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -7.780 -2.868 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.609 -2.383 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.139 -4.047 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -5.502 -3.660 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -5.804 -1.970 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -3.230 -3.504 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.487 -2.252 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -2.399 -1.223 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.019 -0.742 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.386 -1.956 -2.178 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.523 -5.546 -1.760 1.00 0.00 N ATOM 1305 CA ALA B 28 -10.873 -6.065 -1.950 1.00 0.00 C ATOM 1306 C ALA B 28 -11.765 -5.746 -0.755 1.00 0.00 C ATOM 1307 O ALA B 28 -12.955 -5.475 -0.914 1.00 0.00 O ATOM 1308 CB ALA B 28 -10.834 -7.565 -2.195 1.00 0.00 C ATOM 0 H ALA B 28 -8.788 -6.248 -1.847 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.299 -5.575 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -11.849 -7.937 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.245 -7.773 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.380 -8.062 -1.338 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.188 -5.774 0.441 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.935 -5.477 1.653 1.00 0.00 C ATOM 1316 C LYS B 29 -12.373 -4.024 1.645 1.00 0.00 C ATOM 1317 O LYS B 29 -13.465 -3.693 2.107 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.091 -5.783 2.891 1.00 0.00 C ATOM 1319 CG LYS B 29 -11.816 -5.520 4.200 1.00 0.00 C ATOM 1320 CD LYS B 29 -11.003 -5.994 5.395 1.00 0.00 C ATOM 1321 CE LYS B 29 -10.782 -7.498 5.364 1.00 0.00 C ATOM 1322 NZ LYS B 29 -12.067 -8.250 5.397 1.00 0.00 N ATOM 0 H LYS B 29 -10.205 -6.000 0.595 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.823 -6.109 1.686 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.781 -6.828 2.860 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.183 -5.180 2.860 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.018 -4.453 4.297 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.781 -6.028 4.191 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.039 -5.485 5.405 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.517 -5.721 6.316 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.228 -7.765 4.464 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.168 -7.792 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.876 -9.256 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.672 -7.870 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.552 -8.150 4.482 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.524 -3.160 1.094 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.841 -1.745 1.001 1.00 0.00 C ATOM 1338 C ILE B 30 -13.156 -1.572 0.253 1.00 0.00 C ATOM 1339 O ILE B 30 -13.923 -0.647 0.522 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.727 -0.953 0.288 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.372 -1.241 0.940 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -11.029 0.539 0.328 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.209 -0.545 0.263 1.00 0.00 C ATOM 0 H ILE B 30 -10.616 -3.417 0.708 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.929 -1.351 2.013 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.686 -1.270 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.409 -0.934 1.985 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.196 -2.317 0.930 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.234 1.085 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.978 0.732 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.092 0.870 1.365 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.283 -0.797 0.780 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -8.144 -0.871 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.361 0.534 0.296 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.424 -2.499 -0.671 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.663 -2.482 -1.435 1.00 0.00 C ATOM 1357 C GLN B 31 -15.825 -2.620 -0.474 1.00 0.00 C ATOM 1358 O GLN B 31 -16.751 -1.811 -0.463 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.699 -3.642 -2.429 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.515 -3.690 -3.374 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.527 -4.930 -4.245 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -13.740 -4.735 -5.537 1.00 0.00 O flip ATOM 1363 NE2 GLN B 31 -13.364 -6.048 -3.758 1.00 0.00 N flip ATOM 0 H GLN B 31 -12.796 -3.268 -0.904 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.728 -1.545 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.745 -4.579 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.615 -3.574 -3.016 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.522 -2.803 -4.008 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.591 -3.662 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -13.203 -6.149 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -13.390 -6.874 -4.356 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.741 -3.652 0.356 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.758 -3.908 1.359 1.00 0.00 C ATOM 1374 C ASP B 32 -16.853 -2.709 2.290 1.00 0.00 C ATOM 1375 O ASP B 32 -17.928 -2.352 2.772 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.420 -5.173 2.153 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.483 -5.521 3.177 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -17.716 -4.706 4.095 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -18.084 -6.610 3.061 1.00 0.00 O ATOM 0 H ASP B 32 -14.975 -4.325 0.351 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.719 -4.063 0.868 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.298 -6.008 1.464 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.465 -5.035 2.659 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.701 -2.091 2.521 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.597 -0.921 3.377 1.00 0.00 C ATOM 1386 C LYS B 33 -16.339 0.272 2.777 1.00 0.00 C ATOM 1387 O LYS B 33 -16.892 1.098 3.505 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.123 -0.577 3.608 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.415 -1.540 4.548 1.00 0.00 C ATOM 1390 CD LYS B 33 -14.031 -1.520 5.937 1.00 0.00 C ATOM 1391 CE LYS B 33 -13.332 -2.490 6.875 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.428 -3.896 6.392 1.00 0.00 N ATOM 0 H LYS B 33 -14.813 -2.389 2.118 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.064 -1.152 4.334 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.605 -0.571 2.649 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -14.053 0.432 4.014 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.466 -2.550 4.141 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -12.360 -1.276 4.614 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -13.973 -0.512 6.347 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -15.088 -1.776 5.870 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -12.283 -2.210 6.971 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -13.774 -2.416 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.932 -4.471 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.947 -3.919 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -12.472 -4.281 6.251 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.353 0.358 1.447 1.00 0.00 N ATOM 1407 CA GLU B 34 -17.034 1.456 0.763 1.00 0.00 C ATOM 1408 C GLU B 34 -17.698 0.978 -0.526 1.00 0.00 C ATOM 1409 O GLU B 34 -18.924 0.944 -0.627 1.00 0.00 O ATOM 1410 CB GLU B 34 -16.046 2.581 0.442 1.00 0.00 C ATOM 1411 CG GLU B 34 -15.391 3.199 1.668 1.00 0.00 C ATOM 1412 CD GLU B 34 -16.384 3.888 2.585 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.585 3.932 2.242 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -15.959 4.389 3.648 1.00 0.00 O ATOM 0 H GLU B 34 -15.904 -0.315 0.826 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.807 1.833 1.433 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.268 2.191 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -16.568 3.362 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -14.869 2.421 2.225 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -14.640 3.920 1.347 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.880 0.613 -1.509 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.410 0.145 -2.778 1.00 0.00 C ATOM 1423 C GLY B 35 -16.578 0.611 -3.956 1.00 0.00 C ATOM 1424 O GLY B 35 -17.102 1.212 -4.895 1.00 0.00 O ATOM 0 H GLY B 35 -15.862 0.633 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.450 -0.944 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.433 0.501 -2.895 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.278 0.345 -3.903 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.370 0.751 -4.968 1.00 0.00 C ATOM 1430 C ILE B 36 -13.438 -0.382 -5.382 1.00 0.00 C ATOM 1431 O ILE B 36 -12.825 -1.030 -4.535 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.501 1.955 -4.547 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.697 2.287 -3.064 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.803 3.160 -5.415 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.159 1.227 -2.126 1.00 0.00 C ATOM 0 H ILE B 36 -14.829 -0.151 -3.133 1.00 0.00 H new ATOM 0 HA ILE B 36 -15.004 1.029 -5.810 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.455 1.683 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.207 3.236 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.760 2.426 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.181 3.999 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.592 2.920 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.854 3.430 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.334 1.532 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.667 0.281 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.089 1.104 -2.292 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.309 -0.624 -6.698 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.432 -1.672 -7.229 1.00 0.00 C ATOM 1449 C PRO B 37 -11.019 -1.581 -6.655 1.00 0.00 C ATOM 1450 O PRO B 37 -10.497 -0.485 -6.449 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.415 -1.385 -8.731 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.717 -0.716 -8.996 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.003 0.111 -7.774 1.00 0.00 C ATOM 0 HA PRO B 37 -12.783 -2.672 -6.975 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.577 -0.744 -9.003 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.315 -2.303 -9.310 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.662 -0.092 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.506 -1.448 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.622 1.127 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.073 0.189 -7.582 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.379 -2.733 -6.386 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.023 -2.774 -5.829 1.00 0.00 C ATOM 1463 C PRO B 38 -8.015 -2.022 -6.692 1.00 0.00 C ATOM 1464 O PRO B 38 -7.081 -1.404 -6.180 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.680 -4.266 -5.799 1.00 0.00 C ATOM 1466 CG PRO B 38 -9.987 -4.977 -5.851 1.00 0.00 C ATOM 1467 CD PRO B 38 -10.930 -4.082 -6.605 1.00 0.00 C ATOM 0 HA PRO B 38 -8.981 -2.295 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.050 -4.541 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.129 -4.524 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.885 -5.941 -6.350 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.361 -5.176 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -10.961 -4.335 -7.665 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.949 -4.165 -6.227 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.204 -2.091 -8.004 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.310 -1.432 -8.946 1.00 0.00 C ATOM 1477 C ASP B 39 -7.317 0.081 -8.758 1.00 0.00 C ATOM 1478 O ASP B 39 -6.283 0.734 -8.894 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.709 -1.777 -10.382 1.00 0.00 C ATOM 1480 CG ASP B 39 -7.655 -3.268 -10.653 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -6.564 -3.859 -10.516 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -8.706 -3.846 -11.005 1.00 0.00 O ATOM 0 H ASP B 39 -8.973 -2.600 -8.441 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.300 -1.793 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -8.718 -1.412 -10.574 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.045 -1.260 -11.075 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.487 0.637 -8.459 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.615 2.073 -8.273 1.00 0.00 C ATOM 1489 C GLN B 40 -7.787 2.565 -7.086 1.00 0.00 C ATOM 1490 O GLN B 40 -7.126 3.600 -7.176 1.00 0.00 O ATOM 1491 CB GLN B 40 -10.085 2.455 -8.117 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.896 2.195 -9.380 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.361 2.562 -9.244 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.775 2.944 -8.044 1.00 0.00 O flip ATOM 1495 NE2 GLN B 40 -13.119 2.488 -10.211 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.355 0.115 -8.341 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.221 2.565 -9.162 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.517 1.891 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -10.156 3.511 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.462 2.762 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.817 1.140 -9.643 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.761 2.190 -11.118 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.105 2.725 -10.105 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.815 1.823 -5.981 1.00 0.00 N ATOM 1505 CA GLN B 41 -7.046 2.203 -4.797 1.00 0.00 C ATOM 1506 C GLN B 41 -5.568 2.347 -5.144 1.00 0.00 C ATOM 1507 O GLN B 41 -4.965 1.440 -5.718 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.210 1.169 -3.678 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.575 1.183 -3.005 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.704 0.806 -3.942 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -10.056 1.560 -4.849 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.273 -0.374 -3.729 1.00 0.00 N ATOM 0 H GLN B 41 -8.356 0.964 -5.880 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.429 3.161 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -7.031 0.175 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.444 1.344 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.565 0.492 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.764 2.177 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.948 -0.966 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -11.035 -0.689 -4.330 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.988 3.493 -4.798 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.586 3.750 -5.079 1.00 0.00 C ATOM 1523 C ARG B 42 -2.691 3.222 -3.969 1.00 0.00 C ATOM 1524 O ARG B 42 -2.840 3.602 -2.811 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.340 5.246 -5.258 1.00 0.00 C ATOM 1526 CG ARG B 42 -4.096 5.856 -6.428 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.800 7.340 -6.569 1.00 0.00 C ATOM 1528 NE ARG B 42 -4.508 7.939 -7.698 1.00 0.00 N ATOM 1529 CZ ARG B 42 -4.308 7.592 -8.968 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -3.413 6.662 -9.274 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -5.003 8.178 -9.933 1.00 0.00 N ATOM 0 H ARG B 42 -5.470 4.256 -4.323 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.339 3.227 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.626 5.764 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.272 5.415 -5.399 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.822 5.340 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -5.167 5.709 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.083 7.854 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.727 7.484 -6.697 1.00 0.00 H new ATOM 0 HE ARG B 42 -5.196 8.666 -7.502 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.875 6.210 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -3.263 6.399 -10.248 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.691 8.895 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -4.850 7.912 -10.906 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.749 2.358 -4.330 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.825 1.800 -3.355 1.00 0.00 C ATOM 1547 C LEU B 43 0.360 2.740 -3.158 1.00 0.00 C ATOM 1548 O LEU B 43 0.938 3.231 -4.129 1.00 0.00 O ATOM 1549 CB LEU B 43 -0.346 0.419 -3.804 1.00 0.00 C ATOM 1550 CG LEU B 43 0.228 -0.454 -2.688 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -0.795 -0.618 -1.575 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.649 -1.810 -3.233 1.00 0.00 C ATOM 0 H LEU B 43 -1.607 2.031 -5.286 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.344 1.690 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -1.181 -0.108 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.415 0.546 -4.574 1.00 0.00 H new ATOM 0 HG LEU B 43 1.112 0.037 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.376 -1.241 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.050 0.361 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.693 -1.091 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.055 -2.417 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -0.216 -2.313 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.410 -1.673 -4.001 1.00 0.00 H new ATOM 1564 N ILE B 44 0.711 3.006 -1.901 1.00 0.00 N ATOM 1565 CA ILE B 44 1.816 3.910 -1.595 1.00 0.00 C ATOM 1566 C ILE B 44 2.611 3.443 -0.378 1.00 0.00 C ATOM 1567 O ILE B 44 2.052 2.886 0.566 1.00 0.00 O ATOM 1568 CB ILE B 44 1.307 5.343 -1.342 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.546 5.858 -2.566 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.469 6.270 -1.005 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.031 7.244 -2.385 1.00 0.00 C ATOM 0 H ILE B 44 0.248 2.610 -1.083 1.00 0.00 H new ATOM 0 HA ILE B 44 2.472 3.905 -2.466 1.00 0.00 H new ATOM 0 HB ILE B 44 0.625 5.326 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.218 5.863 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.263 5.165 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE B 44 2.092 7.277 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.973 5.910 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.174 6.286 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.556 7.541 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -0.729 7.241 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.775 7.950 -2.184 1.00 0.00 H new ATOM 1583 N PHE B 45 3.921 3.686 -0.410 1.00 0.00 N ATOM 1584 CA PHE B 45 4.810 3.307 0.687 1.00 0.00 C ATOM 1585 C PHE B 45 5.753 4.461 1.017 1.00 0.00 C ATOM 1586 O PHE B 45 6.248 5.137 0.116 1.00 0.00 O ATOM 1587 CB PHE B 45 5.637 2.069 0.323 1.00 0.00 C ATOM 1588 CG PHE B 45 4.825 0.890 -0.139 1.00 0.00 C ATOM 1589 CD1 PHE B 45 4.234 0.886 -1.392 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.657 -0.213 0.681 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.490 -0.198 -1.819 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.913 -1.300 0.259 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.330 -1.293 -0.992 1.00 0.00 C ATOM 0 H PHE B 45 4.392 4.146 -1.189 1.00 0.00 H new ATOM 0 HA PHE B 45 4.193 3.074 1.554 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.343 2.338 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE B 45 6.224 1.772 1.192 1.00 0.00 H new ATOM 0 HD1 PHE B 45 4.356 1.739 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.112 -0.225 1.661 1.00 0.00 H new ATOM 0 HE1 PHE B 45 3.034 -0.189 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.788 -2.154 0.908 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.750 -2.142 -1.324 1.00 0.00 H new ATOM 1603 N ALA B 46 6.004 4.687 2.306 1.00 0.00 N ATOM 1604 CA ALA B 46 6.896 5.771 2.716 1.00 0.00 C ATOM 1605 C ALA B 46 7.564 5.474 4.054 1.00 0.00 C ATOM 1606 O ALA B 46 6.900 5.352 5.082 1.00 0.00 O ATOM 1607 CB ALA B 46 6.125 7.081 2.791 1.00 0.00 C ATOM 0 H ALA B 46 5.609 4.144 3.074 1.00 0.00 H new ATOM 0 HA ALA B 46 7.683 5.858 1.966 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.798 7.882 3.097 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.706 7.313 1.812 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.318 6.987 3.518 1.00 0.00 H new ATOM 1613 N GLY B 47 8.890 5.370 4.030 1.00 0.00 N ATOM 1614 CA GLY B 47 9.640 5.096 5.242 1.00 0.00 C ATOM 1615 C GLY B 47 9.708 6.296 6.166 1.00 0.00 C ATOM 1616 O GLY B 47 9.918 7.421 5.715 1.00 0.00 O ATOM 0 H GLY B 47 9.459 5.471 3.190 1.00 0.00 H new ATOM 0 HA2 GLY B 47 9.179 4.261 5.770 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.651 4.787 4.978 1.00 0.00 H new