USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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 17 ASN :FLIP amide:sc= -3.8! C(o=-6.2!,f=-4.8!) USER MOD Set 1.2: B 16 LYS NZ :NH3+ 158:sc= -1.03 (180deg=-0.0103) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 158:sc= -0.953 (180deg=-0.00566) USER MOD Set 2.2: B 17 ASN :FLIP amide:sc= -3.67! C(o=-6!,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -137:sc= -0.435 (180deg=-2.3!) USER MOD Single : A 5 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.75) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 72:sc= 0.723 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 22 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.91) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-1.66e-06 (180deg=-0.0655) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -118:sc= 0.107 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -137:sc= -0.441 (180deg=-2.31!) USER MOD Single : B 5 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.73) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 72:sc= 0.645 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 22 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.77) USER MOD Single : B 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.064) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.294 -0.655 -5.354 1.00 0.00 N ATOM 2 CA GLY A 1 25.026 0.785 -5.573 1.00 0.00 C ATOM 3 C GLY A 1 23.549 1.061 -5.757 1.00 0.00 C ATOM 4 O GLY A 1 22.751 0.123 -5.836 1.00 0.00 O ATOM 0 H1 GLY A 1 25.691 -0.794 -4.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.407 -1.190 -5.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.973 -0.994 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.400 1.357 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.572 1.127 -6.453 1.00 0.00 H new ATOM 10 N SER A 2 23.191 2.347 -5.795 1.00 0.00 N ATOM 11 CA SER A 2 21.811 2.783 -6.048 1.00 0.00 C ATOM 12 C SER A 2 20.938 2.530 -4.824 1.00 0.00 C ATOM 13 O SER A 2 19.725 2.344 -4.928 1.00 0.00 O ATOM 14 CB SER A 2 21.230 2.085 -7.285 1.00 0.00 C ATOM 15 OG SER A 2 22.015 2.356 -8.439 1.00 0.00 O ATOM 0 H SER A 2 23.846 3.115 -5.652 1.00 0.00 H new ATOM 0 HA SER A 2 21.825 3.855 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.188 1.009 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.206 2.422 -7.450 1.00 0.00 H new ATOM 0 HG SER A 2 21.626 1.899 -9.214 1.00 0.00 H new ATOM 21 N MET A 3 21.570 2.555 -3.660 1.00 0.00 N ATOM 22 CA MET A 3 20.874 2.344 -2.401 1.00 0.00 C ATOM 23 C MET A 3 19.861 3.460 -2.148 1.00 0.00 C ATOM 24 O MET A 3 18.805 3.235 -1.555 1.00 0.00 O ATOM 25 CB MET A 3 21.887 2.271 -1.260 1.00 0.00 C ATOM 26 CG MET A 3 21.254 2.156 0.117 1.00 0.00 C ATOM 27 SD MET A 3 22.473 2.132 1.443 1.00 0.00 S ATOM 28 CE MET A 3 21.411 1.904 2.868 1.00 0.00 C ATOM 0 H MET A 3 22.572 2.721 -3.562 1.00 0.00 H new ATOM 0 HA MET A 3 20.329 1.402 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.541 1.414 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.516 3.161 -1.287 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.573 2.993 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.656 1.246 0.162 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.018 1.869 3.772 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.709 2.735 2.935 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.859 0.970 2.765 1.00 0.00 H new ATOM 38 N LYS A 4 20.181 4.662 -2.617 1.00 0.00 N ATOM 39 CA LYS A 4 19.280 5.799 -2.484 1.00 0.00 C ATOM 40 C LYS A 4 17.999 5.557 -3.276 1.00 0.00 C ATOM 41 O LYS A 4 16.923 6.018 -2.895 1.00 0.00 O ATOM 42 CB LYS A 4 19.958 7.087 -2.961 1.00 0.00 C ATOM 43 CG LYS A 4 19.115 8.336 -2.743 1.00 0.00 C ATOM 44 CD LYS A 4 19.847 9.619 -3.130 1.00 0.00 C ATOM 45 CE LYS A 4 20.000 9.779 -4.641 1.00 0.00 C ATOM 46 NZ LYS A 4 21.144 9.002 -5.188 1.00 0.00 N ATOM 0 H LYS A 4 21.058 4.873 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 4 19.027 5.911 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.907 7.203 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.188 6.995 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.198 8.256 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.822 8.392 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.304 10.476 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.834 9.623 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.081 9.458 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.136 10.834 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.661 9.584 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.784 8.734 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.789 8.144 -5.656 1.00 0.00 H new ATOM 60 N GLN A 5 18.118 4.809 -4.367 1.00 0.00 N ATOM 61 CA GLN A 5 16.965 4.484 -5.195 1.00 0.00 C ATOM 62 C GLN A 5 15.997 3.601 -4.421 1.00 0.00 C ATOM 63 O GLN A 5 14.782 3.770 -4.511 1.00 0.00 O ATOM 64 CB GLN A 5 17.403 3.786 -6.484 1.00 0.00 C ATOM 65 CG GLN A 5 18.373 4.606 -7.322 1.00 0.00 C ATOM 66 CD GLN A 5 17.808 5.954 -7.723 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.599 6.110 -7.900 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.677 6.938 -7.863 1.00 0.00 N ATOM 0 H GLN A 5 19.000 4.417 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 5 16.461 5.412 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.870 2.834 -6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.521 3.560 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.295 4.756 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.635 4.045 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.670 6.767 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.355 7.869 -8.127 1.00 0.00 H new ATOM 77 N LEU A 6 16.545 2.673 -3.644 1.00 0.00 N ATOM 78 CA LEU A 6 15.729 1.810 -2.792 1.00 0.00 C ATOM 79 C LEU A 6 15.001 2.634 -1.735 1.00 0.00 C ATOM 80 O LEU A 6 13.845 2.358 -1.407 1.00 0.00 O ATOM 81 CB LEU A 6 16.580 0.726 -2.117 1.00 0.00 C ATOM 82 CG LEU A 6 16.935 -0.488 -2.986 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.838 -0.096 -4.144 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.592 -1.566 -2.141 1.00 0.00 C ATOM 0 H LEU A 6 17.548 2.498 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 6 14.993 1.319 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.507 1.183 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.049 0.373 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 6 16.010 -0.883 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.070 -0.979 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.331 0.639 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.762 0.333 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.839 -2.421 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.503 -1.171 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.906 -1.880 -1.354 1.00 0.00 H new ATOM 96 N GLU A 7 15.682 3.652 -1.211 1.00 0.00 N ATOM 97 CA GLU A 7 15.076 4.568 -0.250 1.00 0.00 C ATOM 98 C GLU A 7 13.870 5.264 -0.868 1.00 0.00 C ATOM 99 O GLU A 7 12.833 5.425 -0.228 1.00 0.00 O ATOM 100 CB GLU A 7 16.083 5.621 0.214 1.00 0.00 C ATOM 101 CG GLU A 7 17.261 5.057 0.987 1.00 0.00 C ATOM 102 CD GLU A 7 18.183 6.148 1.493 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.941 6.659 2.605 1.00 0.00 O ATOM 104 OE2 GLU A 7 19.145 6.491 0.777 1.00 0.00 O ATOM 0 H GLU A 7 16.654 3.862 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 7 14.756 3.982 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.458 6.158 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.568 6.350 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.894 4.472 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.822 4.376 0.347 1.00 0.00 H new ATOM 111 N ASP A 8 14.016 5.667 -2.124 1.00 0.00 N ATOM 112 CA ASP A 8 12.931 6.324 -2.841 1.00 0.00 C ATOM 113 C ASP A 8 11.753 5.381 -3.013 1.00 0.00 C ATOM 114 O ASP A 8 10.603 5.779 -2.841 1.00 0.00 O ATOM 115 CB ASP A 8 13.389 6.819 -4.212 1.00 0.00 C ATOM 116 CG ASP A 8 14.283 8.038 -4.130 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.506 7.888 -4.324 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.759 9.141 -3.873 1.00 0.00 O ATOM 0 H ASP A 8 14.872 5.551 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 8 12.622 7.183 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.922 6.017 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.514 7.056 -4.818 1.00 0.00 H new ATOM 123 N LYS A 9 12.052 4.129 -3.341 1.00 0.00 N ATOM 124 CA LYS A 9 11.020 3.129 -3.591 1.00 0.00 C ATOM 125 C LYS A 9 10.192 2.849 -2.343 1.00 0.00 C ATOM 126 O LYS A 9 8.965 2.916 -2.384 1.00 0.00 O ATOM 127 CB LYS A 9 11.642 1.829 -4.104 1.00 0.00 C ATOM 128 CG LYS A 9 12.337 1.975 -5.446 1.00 0.00 C ATOM 129 CD LYS A 9 12.807 0.632 -5.975 1.00 0.00 C ATOM 130 CE LYS A 9 13.482 0.779 -7.327 1.00 0.00 C ATOM 131 NZ LYS A 9 13.828 -0.537 -7.926 1.00 0.00 N ATOM 0 H LYS A 9 13.006 3.781 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 9 10.355 3.534 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.361 1.466 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.862 1.072 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.655 2.432 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.190 2.647 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.502 0.182 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.957 -0.045 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.823 1.323 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.387 1.376 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.287 -0.389 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.478 -1.046 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.962 -1.098 -8.056 1.00 0.00 H new ATOM 145 N VAL A 10 10.860 2.551 -1.232 1.00 0.00 N ATOM 146 CA VAL A 10 10.159 2.200 -0.002 1.00 0.00 C ATOM 147 C VAL A 10 9.286 3.360 0.490 1.00 0.00 C ATOM 148 O VAL A 10 8.179 3.146 0.977 1.00 0.00 O ATOM 149 CB VAL A 10 11.133 1.742 1.116 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.116 2.841 1.489 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.365 1.270 2.344 1.00 0.00 C ATOM 0 H VAL A 10 11.877 2.546 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 10 9.512 1.356 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 10 11.708 0.903 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.781 2.483 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.704 3.116 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.568 3.713 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.069 0.954 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.752 2.086 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.724 0.431 2.072 1.00 0.00 H new ATOM 161 N GLU A 11 9.772 4.587 0.334 1.00 0.00 N ATOM 162 CA GLU A 11 9.003 5.762 0.727 1.00 0.00 C ATOM 163 C GLU A 11 7.880 6.025 -0.271 1.00 0.00 C ATOM 164 O GLU A 11 6.801 6.496 0.096 1.00 0.00 O ATOM 165 CB GLU A 11 9.915 6.985 0.837 1.00 0.00 C ATOM 166 CG GLU A 11 11.011 6.838 1.881 1.00 0.00 C ATOM 167 CD GLU A 11 10.472 6.580 3.274 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.333 5.395 3.645 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.190 7.561 3.993 1.00 0.00 O ATOM 0 H GLU A 11 10.690 4.793 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 11 8.559 5.571 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.373 7.174 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.309 7.858 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.670 6.018 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.617 7.744 1.894 1.00 0.00 H new ATOM 176 N GLU A 12 8.146 5.717 -1.535 1.00 0.00 N ATOM 177 CA GLU A 12 7.141 5.837 -2.584 1.00 0.00 C ATOM 178 C GLU A 12 5.931 4.953 -2.278 1.00 0.00 C ATOM 179 O GLU A 12 4.803 5.440 -2.232 1.00 0.00 O ATOM 180 CB GLU A 12 7.741 5.461 -3.943 1.00 0.00 C ATOM 181 CG GLU A 12 6.790 5.653 -5.114 1.00 0.00 C ATOM 182 CD GLU A 12 6.372 7.099 -5.303 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.077 7.830 -6.027 1.00 0.00 O ATOM 184 OE2 GLU A 12 5.338 7.496 -4.729 1.00 0.00 O ATOM 0 H GLU A 12 9.053 5.381 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 12 6.809 6.875 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.635 6.061 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.058 4.418 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.268 5.296 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.902 5.040 -4.959 1.00 0.00 H new ATOM 191 N LEU A 13 6.161 3.658 -2.074 1.00 0.00 N ATOM 192 CA LEU A 13 5.068 2.741 -1.738 1.00 0.00 C ATOM 193 C LEU A 13 4.471 3.037 -0.364 1.00 0.00 C ATOM 194 O LEU A 13 3.281 2.812 -0.151 1.00 0.00 O ATOM 195 CB LEU A 13 5.491 1.270 -1.830 1.00 0.00 C ATOM 196 CG LEU A 13 5.604 0.734 -3.258 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.868 1.227 -3.942 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.546 -0.783 -3.268 1.00 0.00 C ATOM 0 H LEU A 13 7.081 3.221 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 13 4.295 2.913 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.453 1.149 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.770 0.662 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 13 4.753 1.117 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.914 0.826 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.858 2.316 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.740 0.893 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.628 -1.143 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.369 -1.183 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.599 -1.114 -2.842 1.00 0.00 H new ATOM 210 N LEU A 14 5.290 3.542 0.556 1.00 0.00 N ATOM 211 CA LEU A 14 4.798 4.017 1.846 1.00 0.00 C ATOM 212 C LEU A 14 3.718 5.075 1.620 1.00 0.00 C ATOM 213 O LEU A 14 2.700 5.111 2.312 1.00 0.00 O ATOM 214 CB LEU A 14 5.982 4.569 2.668 1.00 0.00 C ATOM 215 CG LEU A 14 5.678 5.163 4.052 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.110 6.572 3.942 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.739 4.263 4.844 1.00 0.00 C ATOM 0 H LEU A 14 6.298 3.633 0.431 1.00 0.00 H new ATOM 0 HA LEU A 14 4.349 3.199 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.703 3.762 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.472 5.340 2.073 1.00 0.00 H new ATOM 0 HG LEU A 14 6.623 5.226 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.907 6.961 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.832 7.217 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.185 6.547 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.543 4.710 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.801 4.149 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.201 3.285 4.980 1.00 0.00 H new ATOM 229 N SER A 15 3.946 5.923 0.634 1.00 0.00 N ATOM 230 CA SER A 15 2.973 6.928 0.252 1.00 0.00 C ATOM 231 C SER A 15 1.838 6.298 -0.563 1.00 0.00 C ATOM 232 O SER A 15 0.676 6.686 -0.429 1.00 0.00 O ATOM 233 CB SER A 15 3.660 8.033 -0.552 1.00 0.00 C ATOM 234 OG SER A 15 4.763 8.571 0.165 1.00 0.00 O ATOM 0 H SER A 15 4.803 5.935 0.080 1.00 0.00 H new ATOM 0 HA SER A 15 2.542 7.362 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.002 7.634 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.945 8.825 -0.774 1.00 0.00 H new ATOM 0 HG SER A 15 5.492 7.917 0.182 1.00 0.00 H new ATOM 240 N LYS A 16 2.179 5.316 -1.397 1.00 0.00 N ATOM 241 CA LYS A 16 1.203 4.680 -2.272 1.00 0.00 C ATOM 242 C LYS A 16 0.130 3.935 -1.474 1.00 0.00 C ATOM 243 O LYS A 16 -1.062 4.139 -1.703 1.00 0.00 O ATOM 244 CB LYS A 16 1.910 3.736 -3.246 1.00 0.00 C ATOM 245 CG LYS A 16 1.052 3.321 -4.432 1.00 0.00 C ATOM 246 CD LYS A 16 1.898 2.698 -5.535 1.00 0.00 C ATOM 247 CE LYS A 16 2.467 1.351 -5.122 1.00 0.00 C ATOM 248 NZ LYS A 16 1.436 0.286 -5.137 1.00 0.00 N ATOM 0 H LYS A 16 3.125 4.946 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 16 0.698 5.461 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.814 4.221 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.225 2.842 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.295 2.608 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.523 4.190 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.291 2.576 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.714 3.373 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.280 1.079 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.894 1.429 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.897 -0.642 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.887 0.321 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.799 0.431 -5.946 1.00 0.00 H new ATOM 262 N ASN A 17 0.539 3.096 -0.518 1.00 0.00 N ATOM 263 CA ASN A 17 -0.427 2.334 0.272 1.00 0.00 C ATOM 264 C ASN A 17 -1.241 3.247 1.183 1.00 0.00 C ATOM 265 O ASN A 17 -2.328 2.889 1.627 1.00 0.00 O ATOM 266 CB ASN A 17 0.243 1.201 1.081 1.00 0.00 C ATOM 267 CG ASN A 17 1.362 1.628 2.025 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.237 2.776 2.664 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 2.322 0.886 2.216 1.00 0.00 N flip ATOM 0 H ASN A 17 1.516 2.930 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.110 1.863 -0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.525 0.695 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.645 0.469 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.394 0.004 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.047 1.152 2.882 1.00 0.00 H new ATOM 276 N TYR A 18 -0.722 4.439 1.442 1.00 0.00 N ATOM 277 CA TYR A 18 -1.432 5.416 2.248 1.00 0.00 C ATOM 278 C TYR A 18 -2.629 5.941 1.467 1.00 0.00 C ATOM 279 O TYR A 18 -3.723 6.101 2.008 1.00 0.00 O ATOM 280 CB TYR A 18 -0.501 6.567 2.639 1.00 0.00 C ATOM 281 CG TYR A 18 -1.150 7.598 3.535 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.628 8.796 3.018 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.287 7.371 4.899 1.00 0.00 C ATOM 284 CE1 TYR A 18 -2.223 9.738 3.833 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.881 8.309 5.720 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.347 9.489 5.183 1.00 0.00 C ATOM 287 OH TYR A 18 -2.939 10.426 6.001 1.00 0.00 O ATOM 0 H TYR A 18 0.189 4.751 1.105 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.782 4.939 3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.374 6.159 3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.145 7.058 1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.532 8.993 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.923 6.447 5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.589 10.664 3.415 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.980 8.118 6.778 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.949 10.095 6.924 1.00 0.00 H new ATOM 297 N HIS A 19 -2.415 6.173 0.179 1.00 0.00 N ATOM 298 CA HIS A 19 -3.476 6.641 -0.702 1.00 0.00 C ATOM 299 C HIS A 19 -4.496 5.530 -0.938 1.00 0.00 C ATOM 300 O HIS A 19 -5.671 5.791 -1.187 1.00 0.00 O ATOM 301 CB HIS A 19 -2.896 7.132 -2.032 1.00 0.00 C ATOM 302 CG HIS A 19 -1.956 8.291 -1.879 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.734 8.365 -2.513 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.066 9.429 -1.152 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.136 9.495 -2.181 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.922 10.157 -1.358 1.00 0.00 N ATOM 0 H HIS A 19 -1.513 6.044 -0.280 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.981 7.479 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.371 6.309 -2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.714 7.421 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.900 9.711 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.834 9.821 -2.526 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.714 11.064 -0.941 1.00 0.00 H new ATOM 315 N LEU A 20 -4.039 4.286 -0.846 1.00 0.00 N ATOM 316 CA LEU A 20 -4.931 3.136 -0.947 1.00 0.00 C ATOM 317 C LEU A 20 -5.785 3.014 0.302 1.00 0.00 C ATOM 318 O LEU A 20 -6.952 2.639 0.224 1.00 0.00 O ATOM 319 CB LEU A 20 -4.143 1.846 -1.181 1.00 0.00 C ATOM 320 CG LEU A 20 -3.945 1.471 -2.650 1.00 0.00 C ATOM 321 CD1 LEU A 20 -3.395 2.650 -3.433 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.022 0.271 -2.768 1.00 0.00 C ATOM 0 H LEU A 20 -3.058 4.048 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.585 3.293 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.164 1.945 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.657 1.027 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.913 1.204 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.261 2.363 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.094 3.484 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.435 2.950 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.890 0.015 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.054 0.512 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.459 -0.577 -2.240 1.00 0.00 H new ATOM 334 N GLU A 21 -5.206 3.355 1.448 1.00 0.00 N ATOM 335 CA GLU A 21 -5.964 3.394 2.693 1.00 0.00 C ATOM 336 C GLU A 21 -7.088 4.413 2.573 1.00 0.00 C ATOM 337 O GLU A 21 -8.184 4.222 3.102 1.00 0.00 O ATOM 338 CB GLU A 21 -5.063 3.753 3.877 1.00 0.00 C ATOM 339 CG GLU A 21 -4.074 2.667 4.257 1.00 0.00 C ATOM 340 CD GLU A 21 -3.208 3.067 5.432 1.00 0.00 C ATOM 341 OE1 GLU A 21 -3.416 2.521 6.534 1.00 0.00 O ATOM 342 OE2 GLU A 21 -2.323 3.928 5.251 1.00 0.00 O ATOM 0 H GLU A 21 -4.222 3.607 1.541 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.382 2.403 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.512 4.663 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.689 3.977 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.616 1.754 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.439 2.441 3.400 1.00 0.00 H new ATOM 349 N ASN A 22 -6.801 5.495 1.860 1.00 0.00 N ATOM 350 CA ASN A 22 -7.789 6.530 1.598 1.00 0.00 C ATOM 351 C ASN A 22 -8.905 5.989 0.709 1.00 0.00 C ATOM 352 O ASN A 22 -10.067 6.373 0.853 1.00 0.00 O ATOM 353 CB ASN A 22 -7.133 7.747 0.937 1.00 0.00 C ATOM 354 CG ASN A 22 -6.121 8.439 1.836 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.123 8.982 1.359 1.00 0.00 O ATOM 356 ND2 ASN A 22 -6.374 8.444 3.139 1.00 0.00 N ATOM 0 H ASN A 22 -5.885 5.678 1.451 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.218 6.841 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.638 7.432 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.907 8.461 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.732 8.908 3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.211 7.984 3.498 1.00 0.00 H new ATOM 363 N GLU A 23 -8.554 5.080 -0.197 1.00 0.00 N ATOM 364 CA GLU A 23 -9.538 4.470 -1.081 1.00 0.00 C ATOM 365 C GLU A 23 -10.409 3.487 -0.310 1.00 0.00 C ATOM 366 O GLU A 23 -11.625 3.446 -0.496 1.00 0.00 O ATOM 367 CB GLU A 23 -8.853 3.765 -2.253 1.00 0.00 C ATOM 368 CG GLU A 23 -8.167 4.720 -3.217 1.00 0.00 C ATOM 369 CD GLU A 23 -7.500 4.000 -4.372 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.218 3.560 -5.293 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.258 3.880 -4.353 1.00 0.00 O ATOM 0 H GLU A 23 -7.598 4.752 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.173 5.261 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.116 3.062 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.594 3.180 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.900 5.425 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.421 5.303 -2.677 1.00 0.00 H new ATOM 378 N VAL A 24 -9.787 2.708 0.570 1.00 0.00 N ATOM 379 CA VAL A 24 -10.527 1.761 1.394 1.00 0.00 C ATOM 380 C VAL A 24 -11.518 2.508 2.284 1.00 0.00 C ATOM 381 O VAL A 24 -12.659 2.081 2.464 1.00 0.00 O ATOM 382 CB VAL A 24 -9.591 0.896 2.279 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.383 -0.153 3.049 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.513 0.228 1.441 1.00 0.00 C ATOM 0 H VAL A 24 -8.780 2.714 0.730 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.059 1.092 0.718 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.109 1.560 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.703 -0.745 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.113 0.341 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.901 -0.806 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.871 -0.372 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.979 -0.414 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.915 0.991 0.942 1.00 0.00 H new ATOM 394 N ALA A 25 -11.088 3.652 2.805 1.00 0.00 N ATOM 395 CA ALA A 25 -11.927 4.439 3.700 1.00 0.00 C ATOM 396 C ALA A 25 -13.084 5.089 2.949 1.00 0.00 C ATOM 397 O ALA A 25 -14.180 5.236 3.488 1.00 0.00 O ATOM 398 CB ALA A 25 -11.104 5.497 4.415 1.00 0.00 C ATOM 0 H ALA A 25 -10.168 4.053 2.624 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.345 3.759 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.749 6.073 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.321 5.015 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.651 6.163 3.681 1.00 0.00 H new ATOM 404 N ARG A 26 -12.836 5.465 1.697 1.00 0.00 N ATOM 405 CA ARG A 26 -13.853 6.109 0.876 1.00 0.00 C ATOM 406 C ARG A 26 -14.999 5.139 0.626 1.00 0.00 C ATOM 407 O ARG A 26 -16.170 5.524 0.598 1.00 0.00 O ATOM 408 CB ARG A 26 -13.224 6.618 -0.442 1.00 0.00 C ATOM 409 CG ARG A 26 -13.406 5.736 -1.685 1.00 0.00 C ATOM 410 CD ARG A 26 -14.780 5.920 -2.324 1.00 0.00 C ATOM 411 NE ARG A 26 -14.998 7.293 -2.778 1.00 0.00 N ATOM 412 CZ ARG A 26 -15.890 8.131 -2.246 1.00 0.00 C ATOM 413 NH1 ARG A 26 -16.622 7.765 -1.195 1.00 0.00 N ATOM 414 NH2 ARG A 26 -16.038 9.344 -2.759 1.00 0.00 N ATOM 0 H ARG A 26 -11.939 5.334 1.230 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.259 6.975 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.642 7.601 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.155 6.755 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.632 5.975 -2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.272 4.690 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.880 5.239 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.553 5.650 -1.604 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.430 7.633 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.503 6.837 -0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.301 8.413 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.472 9.633 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.718 9.989 -2.356 1.00 0.00 H new ATOM 428 N LEU A 27 -14.644 3.881 0.448 1.00 0.00 N ATOM 429 CA LEU A 27 -15.624 2.832 0.213 1.00 0.00 C ATOM 430 C LEU A 27 -16.367 2.460 1.483 1.00 0.00 C ATOM 431 O LEU A 27 -17.579 2.262 1.449 1.00 0.00 O ATOM 432 CB LEU A 27 -14.942 1.613 -0.367 1.00 0.00 C ATOM 433 CG LEU A 27 -14.509 1.763 -1.813 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.452 0.743 -2.141 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.700 1.622 -2.747 1.00 0.00 C ATOM 0 H LEU A 27 -13.677 3.557 0.461 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.358 3.213 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.067 1.379 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.619 0.762 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.089 2.759 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.146 0.857 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.590 0.891 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.853 -0.259 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.368 1.733 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.152 0.639 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.435 2.393 -2.518 1.00 0.00 H new ATOM 447 N LYS A 28 -15.638 2.342 2.590 1.00 0.00 N ATOM 448 CA LYS A 28 -16.258 2.110 3.896 1.00 0.00 C ATOM 449 C LYS A 28 -17.454 3.035 4.101 1.00 0.00 C ATOM 450 O LYS A 28 -18.540 2.589 4.464 1.00 0.00 O ATOM 451 CB LYS A 28 -15.247 2.320 5.032 1.00 0.00 C ATOM 452 CG LYS A 28 -14.159 1.255 5.110 1.00 0.00 C ATOM 453 CD LYS A 28 -14.734 -0.137 5.349 1.00 0.00 C ATOM 454 CE LYS A 28 -15.492 -0.229 6.666 1.00 0.00 C ATOM 455 NZ LYS A 28 -14.608 -0.017 7.840 1.00 0.00 N ATOM 0 H LYS A 28 -14.620 2.403 2.611 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.600 1.075 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.776 3.295 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.784 2.344 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.585 1.255 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.466 1.503 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.402 -0.398 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.925 -0.868 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.290 0.513 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.966 -1.208 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.135 -0.222 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.786 -0.651 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.283 0.971 7.856 1.00 0.00 H new ATOM 469 N LYS A 29 -17.252 4.321 3.829 1.00 0.00 N ATOM 470 CA LYS A 29 -18.305 5.314 3.972 1.00 0.00 C ATOM 471 C LYS A 29 -19.485 5.007 3.052 1.00 0.00 C ATOM 472 O LYS A 29 -20.641 5.146 3.449 1.00 0.00 O ATOM 473 CB LYS A 29 -17.748 6.702 3.669 1.00 0.00 C ATOM 474 CG LYS A 29 -16.561 7.080 4.539 1.00 0.00 C ATOM 475 CD LYS A 29 -16.017 8.453 4.184 1.00 0.00 C ATOM 476 CE LYS A 29 -14.777 8.781 4.998 1.00 0.00 C ATOM 477 NZ LYS A 29 -14.289 10.161 4.738 1.00 0.00 N ATOM 0 H LYS A 29 -16.361 4.699 3.506 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.667 5.284 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.449 6.745 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.538 7.440 3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.860 7.067 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.773 6.336 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.777 8.488 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.783 9.208 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.000 8.669 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.988 8.067 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.442 10.344 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.052 10.261 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.032 10.845 4.988 1.00 0.00 H new ATOM 491 N LEU A 30 -19.183 4.571 1.834 1.00 0.00 N ATOM 492 CA LEU A 30 -20.213 4.236 0.853 1.00 0.00 C ATOM 493 C LEU A 30 -21.041 3.028 1.292 1.00 0.00 C ATOM 494 O LEU A 30 -22.235 2.948 0.999 1.00 0.00 O ATOM 495 CB LEU A 30 -19.577 3.963 -0.512 1.00 0.00 C ATOM 496 CG LEU A 30 -18.954 5.179 -1.202 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.314 4.772 -2.519 1.00 0.00 C ATOM 498 CD2 LEU A 30 -20.002 6.259 -1.436 1.00 0.00 C ATOM 0 H LEU A 30 -18.228 4.440 1.500 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.883 5.092 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.806 3.202 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.337 3.543 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.181 5.584 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.876 5.648 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.535 4.033 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.072 4.342 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.539 7.115 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.797 5.864 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.421 6.573 -0.480 1.00 0.00 H new ATOM 510 N VAL A 31 -20.412 2.093 1.994 1.00 0.00 N ATOM 511 CA VAL A 31 -21.110 0.900 2.463 1.00 0.00 C ATOM 512 C VAL A 31 -21.919 1.213 3.725 1.00 0.00 C ATOM 513 O VAL A 31 -22.929 0.566 4.007 1.00 0.00 O ATOM 514 CB VAL A 31 -20.134 -0.268 2.743 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.892 -1.563 3.004 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.168 -0.449 1.583 1.00 0.00 C ATOM 0 H VAL A 31 -19.426 2.136 2.250 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.786 0.589 1.667 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.563 -0.019 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.182 -2.367 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.542 -1.436 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.495 -1.814 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.490 -1.275 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.728 -0.668 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.592 0.466 1.443 1.00 0.00 H new ATOM 526 N GLY A 32 -21.480 2.218 4.472 1.00 0.00 N ATOM 527 CA GLY A 32 -22.199 2.618 5.665 1.00 0.00 C ATOM 528 C GLY A 32 -21.274 3.017 6.796 1.00 0.00 C ATOM 529 O GLY A 32 -21.538 2.697 7.953 1.00 0.00 O ATOM 0 H GLY A 32 -20.640 2.762 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.856 3.454 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -22.836 1.797 5.994 1.00 0.00 H new ATOM 533 N GLU A 33 -20.191 3.709 6.447 1.00 0.00 N ATOM 534 CA GLU A 33 -19.203 4.185 7.415 1.00 0.00 C ATOM 535 C GLU A 33 -18.671 3.037 8.274 1.00 0.00 C ATOM 536 O GLU A 33 -17.775 2.309 7.798 1.00 0.00 O ATOM 537 CB GLU A 33 -19.805 5.283 8.295 1.00 0.00 C ATOM 538 CG GLU A 33 -18.789 5.989 9.178 1.00 0.00 C ATOM 539 CD GLU A 33 -19.436 6.990 10.110 1.00 0.00 C ATOM 540 OE1 GLU A 33 -19.703 8.127 9.668 1.00 0.00 O ATOM 541 OE2 GLU A 33 -19.679 6.636 11.281 1.00 0.00 O ATOM 542 OXT GLU A 33 -19.147 2.861 9.417 1.00 0.00 O ATOM 0 H GLU A 33 -19.973 3.956 5.482 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.362 4.603 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.292 6.020 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.579 4.846 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.244 5.249 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.058 6.499 8.551 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.308 0.472 4.639 1.00 0.00 N ATOM 551 CA GLY B 1 25.036 -0.969 4.855 1.00 0.00 C ATOM 552 C GLY B 1 23.561 -1.246 5.041 1.00 0.00 C ATOM 553 O GLY B 1 22.758 -0.312 5.105 1.00 0.00 O ATOM 0 H1 GLY B 1 25.735 0.608 3.700 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.417 1.006 4.695 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.963 0.815 5.370 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.407 -1.540 4.004 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.583 -1.314 5.733 1.00 0.00 H new ATOM 559 N SER B 2 23.206 -2.533 5.093 1.00 0.00 N ATOM 560 CA SER B 2 21.824 -2.965 5.354 1.00 0.00 C ATOM 561 C SER B 2 20.943 -2.710 4.137 1.00 0.00 C ATOM 562 O SER B 2 19.731 -2.514 4.249 1.00 0.00 O ATOM 563 CB SER B 2 21.254 -2.260 6.592 1.00 0.00 C ATOM 564 OG SER B 2 22.053 -2.512 7.738 1.00 0.00 O ATOM 0 H SER B 2 23.861 -3.303 4.957 1.00 0.00 H new ATOM 0 HA SER B 2 21.836 -4.037 5.551 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.201 -1.186 6.411 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.235 -2.603 6.773 1.00 0.00 H new ATOM 0 HG SER B 2 21.669 -2.050 8.512 1.00 0.00 H new ATOM 570 N MET B 3 21.566 -2.741 2.970 1.00 0.00 N ATOM 571 CA MET B 3 20.869 -2.532 1.711 1.00 0.00 C ATOM 572 C MET B 3 19.853 -3.647 1.466 1.00 0.00 C ATOM 573 O MET B 3 18.795 -3.423 0.875 1.00 0.00 O ATOM 574 CB MET B 3 21.880 -2.468 0.568 1.00 0.00 C ATOM 575 CG MET B 3 21.242 -2.359 -0.808 1.00 0.00 C ATOM 576 SD MET B 3 22.454 -2.353 -2.141 1.00 0.00 S ATOM 577 CE MET B 3 21.384 -2.118 -3.559 1.00 0.00 C ATOM 0 H MET B 3 22.567 -2.911 2.869 1.00 0.00 H new ATOM 0 HA MET B 3 20.328 -1.587 1.760 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.536 -1.612 0.723 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.506 -3.360 0.599 1.00 0.00 H new ATOM 0 HG2 MET B 3 20.555 -3.193 -0.952 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.650 -1.445 -0.857 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.985 -2.092 -4.468 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.672 -2.941 -3.618 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.843 -1.177 -3.455 1.00 0.00 H new ATOM 587 N LYS B 4 20.175 -4.847 1.941 1.00 0.00 N ATOM 588 CA LYS B 4 19.272 -5.983 1.815 1.00 0.00 C ATOM 589 C LYS B 4 17.991 -5.734 2.607 1.00 0.00 C ATOM 590 O LYS B 4 16.914 -6.191 2.226 1.00 0.00 O ATOM 591 CB LYS B 4 19.950 -7.271 2.296 1.00 0.00 C ATOM 592 CG LYS B 4 19.101 -8.518 2.086 1.00 0.00 C ATOM 593 CD LYS B 4 19.825 -9.803 2.475 1.00 0.00 C ATOM 594 CE LYS B 4 19.984 -9.959 3.986 1.00 0.00 C ATOM 595 NZ LYS B 4 21.134 -9.183 4.524 1.00 0.00 N ATOM 0 H LYS B 4 21.053 -5.056 2.416 1.00 0.00 H new ATOM 0 HA LYS B 4 19.016 -6.101 0.762 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.897 -7.393 1.770 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.185 -7.175 3.356 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.186 -8.431 2.672 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.804 -8.577 1.039 1.00 0.00 H new ATOM 0 HD2 LYS B 4 19.275 -10.658 2.082 1.00 0.00 H new ATOM 0 HD3 LYS B 4 20.810 -9.816 2.007 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.068 -9.633 4.479 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.118 -11.014 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.653 -9.764 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.770 -8.920 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.784 -8.322 4.991 1.00 0.00 H new ATOM 609 N GLN B 5 18.114 -4.985 3.698 1.00 0.00 N ATOM 610 CA GLN B 5 16.966 -4.656 4.531 1.00 0.00 C ATOM 611 C GLN B 5 15.996 -3.774 3.757 1.00 0.00 C ATOM 612 O GLN B 5 14.782 -3.936 3.855 1.00 0.00 O ATOM 613 CB GLN B 5 17.412 -3.955 5.816 1.00 0.00 C ATOM 614 CG GLN B 5 18.385 -4.775 6.648 1.00 0.00 C ATOM 615 CD GLN B 5 17.820 -6.123 7.055 1.00 0.00 C ATOM 616 OE1 GLN B 5 16.614 -6.278 7.243 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.689 -7.112 7.190 1.00 0.00 N ATOM 0 H GLN B 5 18.998 -4.595 4.025 1.00 0.00 H new ATOM 0 HA GLN B 5 16.461 -5.582 4.806 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.878 -3.004 5.559 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.534 -3.726 6.419 1.00 0.00 H new ATOM 0 HG2 GLN B 5 19.303 -4.927 6.080 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.653 -4.214 7.543 1.00 0.00 H new ATOM 0 HE21 GLN B 5 19.682 -6.945 7.025 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.366 -8.042 7.459 1.00 0.00 H new ATOM 626 N LEU B 6 16.544 -2.850 2.973 1.00 0.00 N ATOM 627 CA LEU B 6 15.728 -1.989 2.121 1.00 0.00 C ATOM 628 C LEU B 6 14.995 -2.814 1.068 1.00 0.00 C ATOM 629 O LEU B 6 13.840 -2.534 0.743 1.00 0.00 O ATOM 630 CB LEU B 6 16.577 -0.910 1.439 1.00 0.00 C ATOM 631 CG LEU B 6 16.940 0.306 2.304 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.849 -0.085 3.454 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.598 1.383 1.453 1.00 0.00 C ATOM 0 H LEU B 6 17.547 -2.678 2.910 1.00 0.00 H new ATOM 0 HA LEU B 6 14.996 -1.495 2.760 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.501 -1.370 1.088 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.042 -0.557 0.558 1.00 0.00 H new ATOM 0 HG LEU B 6 16.017 0.703 2.727 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.087 0.799 4.046 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.345 -0.819 4.083 1.00 0.00 H new ATOM 0 HD13 LEU B 6 18.769 -0.516 3.060 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.850 2.239 2.080 1.00 0.00 H new ATOM 0 HD22 LEU B 6 18.506 0.985 1.001 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.910 1.698 0.668 1.00 0.00 H new ATOM 645 N GLU B 7 15.672 -3.838 0.547 1.00 0.00 N ATOM 646 CA GLU B 7 15.057 -4.753 -0.409 1.00 0.00 C ATOM 647 C GLU B 7 13.854 -5.444 0.218 1.00 0.00 C ATOM 648 O GLU B 7 12.814 -5.604 -0.418 1.00 0.00 O ATOM 649 CB GLU B 7 16.060 -5.808 -0.877 1.00 0.00 C ATOM 650 CG GLU B 7 17.237 -5.246 -1.653 1.00 0.00 C ATOM 651 CD GLU B 7 18.160 -6.336 -2.160 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.908 -6.861 -3.265 1.00 0.00 O ATOM 653 OE2 GLU B 7 19.134 -6.666 -1.453 1.00 0.00 O ATOM 0 H GLU B 7 16.644 -4.052 0.772 1.00 0.00 H new ATOM 0 HA GLU B 7 14.732 -4.168 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.436 -6.346 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.541 -6.535 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU B 7 16.869 -4.662 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.799 -4.564 -1.015 1.00 0.00 H new ATOM 660 N ASP B 8 14.003 -5.843 1.474 1.00 0.00 N ATOM 661 CA ASP B 8 12.919 -6.493 2.201 1.00 0.00 C ATOM 662 C ASP B 8 11.745 -5.543 2.376 1.00 0.00 C ATOM 663 O ASP B 8 10.592 -5.935 2.211 1.00 0.00 O ATOM 664 CB ASP B 8 13.385 -6.981 3.573 1.00 0.00 C ATOM 665 CG ASP B 8 14.273 -8.204 3.490 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.501 -8.056 3.656 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.741 -9.309 3.264 1.00 0.00 O ATOM 0 H ASP B 8 14.863 -5.729 2.011 1.00 0.00 H new ATOM 0 HA ASP B 8 12.603 -7.354 1.612 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.926 -6.178 4.075 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.514 -7.211 4.187 1.00 0.00 H new ATOM 672 N LYS B 9 12.049 -4.292 2.696 1.00 0.00 N ATOM 673 CA LYS B 9 11.021 -3.291 2.948 1.00 0.00 C ATOM 674 C LYS B 9 10.187 -3.011 1.702 1.00 0.00 C ATOM 675 O LYS B 9 8.958 -3.065 1.751 1.00 0.00 O ATOM 676 CB LYS B 9 11.647 -1.991 3.454 1.00 0.00 C ATOM 677 CG LYS B 9 12.347 -2.134 4.793 1.00 0.00 C ATOM 678 CD LYS B 9 12.827 -0.792 5.315 1.00 0.00 C ATOM 679 CE LYS B 9 13.504 -0.934 6.668 1.00 0.00 C ATOM 680 NZ LYS B 9 13.847 0.385 7.260 1.00 0.00 N ATOM 0 H LYS B 9 13.004 -3.945 2.787 1.00 0.00 H new ATOM 0 HA LYS B 9 10.360 -3.694 3.715 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.364 -1.631 2.716 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.869 -1.232 3.539 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.665 -2.584 5.515 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.195 -2.811 4.691 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.524 -0.351 4.602 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.982 -0.109 5.399 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.846 -1.476 7.347 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.411 -1.529 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.307 0.243 8.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.495 0.893 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.979 0.944 7.388 1.00 0.00 H new ATOM 694 N VAL B 10 10.850 -2.723 0.586 1.00 0.00 N ATOM 695 CA VAL B 10 10.145 -2.375 -0.644 1.00 0.00 C ATOM 696 C VAL B 10 9.268 -3.535 -1.128 1.00 0.00 C ATOM 697 O VAL B 10 8.158 -3.320 -1.610 1.00 0.00 O ATOM 698 CB VAL B 10 11.116 -1.922 -1.766 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.096 -3.023 -2.140 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.343 -1.451 -2.992 1.00 0.00 C ATOM 0 H VAL B 10 11.867 -2.723 0.507 1.00 0.00 H new ATOM 0 HA VAL B 10 9.500 -1.529 -0.408 1.00 0.00 H new ATOM 0 HB VAL B 10 11.695 -1.084 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.759 -2.667 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.686 -3.297 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.546 -3.895 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL B 10 11.044 -1.138 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.727 -2.267 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.705 -0.610 -2.719 1.00 0.00 H new ATOM 710 N GLU B 11 9.753 -4.762 -0.969 1.00 0.00 N ATOM 711 CA GLU B 11 8.982 -5.938 -1.354 1.00 0.00 C ATOM 712 C GLU B 11 7.861 -6.193 -0.351 1.00 0.00 C ATOM 713 O GLU B 11 6.777 -6.661 -0.713 1.00 0.00 O ATOM 714 CB GLU B 11 9.895 -7.159 -1.460 1.00 0.00 C ATOM 715 CG GLU B 11 10.983 -7.018 -2.514 1.00 0.00 C ATOM 716 CD GLU B 11 10.427 -6.758 -3.902 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.281 -5.574 -4.272 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.140 -7.738 -4.620 1.00 0.00 O ATOM 0 H GLU B 11 10.672 -4.967 -0.578 1.00 0.00 H new ATOM 0 HA GLU B 11 8.533 -5.755 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.361 -7.339 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.290 -8.036 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU B 11 11.649 -6.201 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.584 -7.927 -2.533 1.00 0.00 H new ATOM 725 N GLU B 12 8.132 -5.882 0.911 1.00 0.00 N ATOM 726 CA GLU B 12 7.133 -5.992 1.966 1.00 0.00 C ATOM 727 C GLU B 12 5.922 -5.107 1.663 1.00 0.00 C ATOM 728 O GLU B 12 4.794 -5.590 1.626 1.00 0.00 O ATOM 729 CB GLU B 12 7.739 -5.615 3.321 1.00 0.00 C ATOM 730 CG GLU B 12 6.792 -5.802 4.494 1.00 0.00 C ATOM 731 CD GLU B 12 6.370 -7.248 4.681 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.087 -7.988 5.386 1.00 0.00 O ATOM 733 OE2 GLU B 12 5.323 -7.638 4.123 1.00 0.00 O ATOM 0 H GLU B 12 9.042 -5.549 1.230 1.00 0.00 H new ATOM 0 HA GLU B 12 6.799 -7.029 2.009 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.632 -6.217 3.488 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.059 -4.573 3.288 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.274 -5.448 5.405 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.906 -5.186 4.342 1.00 0.00 H new ATOM 740 N LEU B 13 6.156 -3.815 1.450 1.00 0.00 N ATOM 741 CA LEU B 13 5.063 -2.896 1.117 1.00 0.00 C ATOM 742 C LEU B 13 4.459 -3.195 -0.252 1.00 0.00 C ATOM 743 O LEU B 13 3.268 -2.966 -0.461 1.00 0.00 O ATOM 744 CB LEU B 13 5.489 -1.426 1.203 1.00 0.00 C ATOM 745 CG LEU B 13 5.609 -0.886 2.628 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.875 -1.382 3.309 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.555 0.633 2.635 1.00 0.00 C ATOM 0 H LEU B 13 7.078 -3.382 1.500 1.00 0.00 H new ATOM 0 HA LEU B 13 4.293 -3.063 1.870 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.449 -1.309 0.701 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.767 -0.819 0.657 1.00 0.00 H new ATOM 0 HG LEU B 13 4.759 -1.265 3.196 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.927 -0.978 4.320 1.00 0.00 H new ATOM 0 HD12 LEU B 13 6.861 -2.471 3.354 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.746 -1.053 2.742 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.642 0.995 3.659 1.00 0.00 H new ATOM 0 HD22 LEU B 13 6.377 1.029 2.039 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.607 0.965 2.212 1.00 0.00 H new ATOM 759 N LEU B 14 5.270 -3.707 -1.174 1.00 0.00 N ATOM 760 CA LEU B 14 4.772 -4.185 -2.460 1.00 0.00 C ATOM 761 C LEU B 14 3.692 -5.240 -2.227 1.00 0.00 C ATOM 762 O LEU B 14 2.676 -5.282 -2.922 1.00 0.00 O ATOM 763 CB LEU B 14 5.953 -4.741 -3.286 1.00 0.00 C ATOM 764 CG LEU B 14 5.643 -5.341 -4.667 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.073 -6.748 -4.553 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.702 -4.440 -5.455 1.00 0.00 C ATOM 0 H LEU B 14 6.278 -3.802 -1.053 1.00 0.00 H new ATOM 0 HA LEU B 14 4.321 -3.368 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.673 -3.935 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.446 -5.509 -2.690 1.00 0.00 H new ATOM 0 HG LEU B 14 6.586 -5.410 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.867 -7.139 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.795 -7.393 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.149 -6.721 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.499 -4.888 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.767 -4.323 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.165 -3.463 -5.595 1.00 0.00 H new ATOM 778 N SER B 15 3.919 -6.083 -1.237 1.00 0.00 N ATOM 779 CA SER B 15 2.942 -7.082 -0.851 1.00 0.00 C ATOM 780 C SER B 15 1.816 -6.448 -0.034 1.00 0.00 C ATOM 781 O SER B 15 0.649 -6.830 -0.165 1.00 0.00 O ATOM 782 CB SER B 15 3.627 -8.191 -0.051 1.00 0.00 C ATOM 783 OG SER B 15 4.710 -8.745 -0.783 1.00 0.00 O ATOM 0 H SER B 15 4.776 -6.095 -0.684 1.00 0.00 H new ATOM 0 HA SER B 15 2.504 -7.513 -1.751 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.989 -7.792 0.896 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.906 -8.973 0.187 1.00 0.00 H new ATOM 0 HG SER B 15 5.450 -8.103 -0.809 1.00 0.00 H new ATOM 789 N LYS B 16 2.164 -5.465 0.797 1.00 0.00 N ATOM 790 CA LYS B 16 1.193 -4.824 1.672 1.00 0.00 C ATOM 791 C LYS B 16 0.119 -4.078 0.875 1.00 0.00 C ATOM 792 O LYS B 16 -1.073 -4.277 1.111 1.00 0.00 O ATOM 793 CB LYS B 16 1.907 -3.880 2.642 1.00 0.00 C ATOM 794 CG LYS B 16 1.056 -3.459 3.831 1.00 0.00 C ATOM 795 CD LYS B 16 1.909 -2.836 4.929 1.00 0.00 C ATOM 796 CE LYS B 16 2.478 -1.490 4.512 1.00 0.00 C ATOM 797 NZ LYS B 16 1.445 -0.426 4.526 1.00 0.00 N ATOM 0 H LYS B 16 3.112 -5.098 0.880 1.00 0.00 H new ATOM 0 HA LYS B 16 0.686 -5.602 2.243 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.811 -4.367 3.009 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.223 -2.989 2.100 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.300 -2.744 3.505 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.526 -4.325 4.227 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.307 -2.712 5.829 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.726 -3.512 5.182 1.00 0.00 H new ATOM 0 HE2 LYS B 16 3.291 -1.216 5.184 1.00 0.00 H new ATOM 0 HE3 LYS B 16 2.904 -1.570 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 1.905 0.503 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.895 -0.464 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.809 -0.570 5.336 1.00 0.00 H new ATOM 811 N ASN B 17 0.526 -3.242 -0.084 1.00 0.00 N ATOM 812 CA ASN B 17 -0.442 -2.481 -0.872 1.00 0.00 C ATOM 813 C ASN B 17 -1.262 -3.394 -1.776 1.00 0.00 C ATOM 814 O ASN B 17 -2.352 -3.035 -2.214 1.00 0.00 O ATOM 815 CB ASN B 17 0.226 -1.349 -1.683 1.00 0.00 C ATOM 816 CG ASN B 17 1.344 -1.779 -2.628 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.215 -2.926 -3.264 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 2.306 -1.041 -2.818 1.00 0.00 N flip ATOM 0 H ASN B 17 1.502 -3.078 -0.329 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.123 -2.008 -0.164 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.543 -0.844 -2.267 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.629 -0.616 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.380 -0.159 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN B 17 3.032 -1.310 -3.482 1.00 0.00 H new ATOM 825 N TYR B 18 -0.747 -4.589 -2.035 1.00 0.00 N ATOM 826 CA TYR B 18 -1.464 -5.568 -2.832 1.00 0.00 C ATOM 827 C TYR B 18 -2.656 -6.089 -2.042 1.00 0.00 C ATOM 828 O TYR B 18 -3.752 -6.250 -2.575 1.00 0.00 O ATOM 829 CB TYR B 18 -0.537 -6.722 -3.224 1.00 0.00 C ATOM 830 CG TYR B 18 -1.191 -7.755 -4.114 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.671 -8.950 -3.592 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.330 -7.533 -5.478 1.00 0.00 C ATOM 833 CE1 TYR B 18 -2.268 -9.894 -4.404 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.928 -8.472 -6.296 1.00 0.00 C ATOM 835 CZ TYR B 18 -2.395 -9.649 -5.756 1.00 0.00 C ATOM 836 OH TYR B 18 -2.987 -10.589 -6.568 1.00 0.00 O ATOM 0 H TYR B 18 0.166 -4.901 -1.703 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.820 -5.093 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.336 -6.317 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.178 -7.211 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.576 -9.144 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.965 -6.611 -5.906 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.634 -10.819 -3.983 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.029 -8.283 -7.355 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.999 -10.262 -7.492 1.00 0.00 H new ATOM 846 N HIS B 19 -2.434 -6.318 -0.754 1.00 0.00 N ATOM 847 CA HIS B 19 -3.493 -6.779 0.133 1.00 0.00 C ATOM 848 C HIS B 19 -4.509 -5.666 0.371 1.00 0.00 C ATOM 849 O HIS B 19 -5.682 -5.924 0.634 1.00 0.00 O ATOM 850 CB HIS B 19 -2.910 -7.266 1.463 1.00 0.00 C ATOM 851 CG HIS B 19 -1.975 -8.430 1.313 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.747 -8.502 1.937 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.096 -9.572 0.596 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.156 -9.636 1.609 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.953 -10.302 0.797 1.00 0.00 N ATOM 0 H HIS B 19 -1.529 -6.192 -0.300 1.00 0.00 H new ATOM 0 HA HIS B 19 -4.001 -7.617 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.380 -6.443 1.942 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.727 -7.549 2.127 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.937 -9.855 -0.020 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.816 -9.963 1.948 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.752 -11.213 0.385 1.00 0.00 H new ATOM 864 N LEU B 20 -4.053 -4.422 0.268 1.00 0.00 N ATOM 865 CA LEU B 20 -4.942 -3.271 0.369 1.00 0.00 C ATOM 866 C LEU B 20 -5.801 -3.150 -0.876 1.00 0.00 C ATOM 867 O LEU B 20 -6.966 -2.766 -0.796 1.00 0.00 O ATOM 868 CB LEU B 20 -4.151 -1.983 0.597 1.00 0.00 C ATOM 869 CG LEU B 20 -3.947 -1.603 2.064 1.00 0.00 C ATOM 870 CD1 LEU B 20 -3.398 -2.780 2.850 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.019 -0.406 2.176 1.00 0.00 C ATOM 0 H LEU B 20 -3.073 -4.185 0.115 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.594 -3.425 1.229 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.174 -2.085 0.124 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.665 -1.164 0.093 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.914 -1.331 2.488 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.260 -2.489 3.891 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -4.099 -3.613 2.796 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.440 -3.084 2.428 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.884 -0.148 3.226 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.053 -0.652 1.735 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.454 0.442 1.647 1.00 0.00 H new ATOM 883 N GLU B 21 -5.230 -3.498 -2.024 1.00 0.00 N ATOM 884 CA GLU B 21 -5.994 -3.537 -3.268 1.00 0.00 C ATOM 885 C GLU B 21 -7.124 -4.550 -3.138 1.00 0.00 C ATOM 886 O GLU B 21 -8.226 -4.344 -3.651 1.00 0.00 O ATOM 887 CB GLU B 21 -5.102 -3.904 -4.454 1.00 0.00 C ATOM 888 CG GLU B 21 -4.106 -2.826 -4.844 1.00 0.00 C ATOM 889 CD GLU B 21 -3.252 -3.239 -6.023 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.486 -2.722 -7.134 1.00 0.00 O ATOM 891 OE2 GLU B 21 -2.354 -4.087 -5.837 1.00 0.00 O ATOM 0 H GLU B 21 -4.248 -3.756 -2.120 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.406 -2.545 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.556 -4.817 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.734 -4.127 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.642 -1.909 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.463 -2.602 -3.993 1.00 0.00 H new ATOM 898 N ASN B 22 -6.835 -5.634 -2.426 1.00 0.00 N ATOM 899 CA ASN B 22 -7.825 -6.665 -2.153 1.00 0.00 C ATOM 900 C ASN B 22 -8.936 -6.117 -1.263 1.00 0.00 C ATOM 901 O ASN B 22 -10.101 -6.495 -1.404 1.00 0.00 O ATOM 902 CB ASN B 22 -7.171 -7.880 -1.487 1.00 0.00 C ATOM 903 CG ASN B 22 -6.164 -8.583 -2.385 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.173 -9.138 -1.908 1.00 0.00 O ATOM 905 ND2 ASN B 22 -6.414 -8.582 -3.686 1.00 0.00 N ATOM 0 H ASN B 22 -5.916 -5.820 -2.026 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.258 -6.979 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.672 -7.561 -0.572 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.946 -8.589 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.776 -9.051 -4.328 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -7.245 -8.112 -4.045 1.00 0.00 H new ATOM 912 N GLU B 23 -8.576 -5.212 -0.358 1.00 0.00 N ATOM 913 CA GLU B 23 -9.551 -4.596 0.530 1.00 0.00 C ATOM 914 C GLU B 23 -10.425 -3.613 -0.238 1.00 0.00 C ATOM 915 O GLU B 23 -11.640 -3.567 -0.045 1.00 0.00 O ATOM 916 CB GLU B 23 -8.858 -3.888 1.696 1.00 0.00 C ATOM 917 CG GLU B 23 -8.168 -4.837 2.660 1.00 0.00 C ATOM 918 CD GLU B 23 -7.493 -4.113 3.809 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.209 -3.658 4.725 1.00 0.00 O ATOM 920 OE2 GLU B 23 -6.251 -4.007 3.792 1.00 0.00 O ATOM 0 H GLU B 23 -7.618 -4.891 -0.222 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.184 -5.385 0.936 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.123 -3.188 1.300 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.595 -3.300 2.243 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.900 -5.540 3.058 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.425 -5.423 2.118 1.00 0.00 H new ATOM 927 N VAL B 24 -9.806 -2.838 -1.124 1.00 0.00 N ATOM 928 CA VAL B 24 -10.545 -1.891 -1.947 1.00 0.00 C ATOM 929 C VAL B 24 -11.542 -2.637 -2.833 1.00 0.00 C ATOM 930 O VAL B 24 -12.682 -2.206 -3.009 1.00 0.00 O ATOM 931 CB VAL B 24 -9.612 -1.031 -2.838 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.404 0.017 -3.609 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.529 -0.362 -2.007 1.00 0.00 C ATOM 0 H VAL B 24 -8.799 -2.848 -1.289 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.071 -1.219 -1.269 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.135 -1.699 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.725 0.606 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.137 -0.477 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.918 0.674 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.889 0.235 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.990 0.283 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.930 -1.124 -1.508 1.00 0.00 H new ATOM 943 N ALA B 25 -11.118 -3.784 -3.351 1.00 0.00 N ATOM 944 CA ALA B 25 -11.961 -4.573 -4.242 1.00 0.00 C ATOM 945 C ALA B 25 -13.116 -5.217 -3.483 1.00 0.00 C ATOM 946 O ALA B 25 -14.216 -5.362 -4.018 1.00 0.00 O ATOM 947 CB ALA B 25 -11.142 -5.635 -4.956 1.00 0.00 C ATOM 0 H ALA B 25 -10.199 -4.187 -3.170 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.380 -3.896 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.790 -6.212 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.359 -5.156 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.688 -6.300 -4.221 1.00 0.00 H new ATOM 953 N ARG B 26 -12.864 -5.591 -2.231 1.00 0.00 N ATOM 954 CA ARG B 26 -13.880 -6.231 -1.404 1.00 0.00 C ATOM 955 C ARG B 26 -15.024 -5.258 -1.152 1.00 0.00 C ATOM 956 O ARG B 26 -16.196 -5.638 -1.120 1.00 0.00 O ATOM 957 CB ARG B 26 -13.245 -6.739 -0.086 1.00 0.00 C ATOM 958 CG ARG B 26 -13.421 -5.852 1.155 1.00 0.00 C ATOM 959 CD ARG B 26 -14.792 -6.032 1.801 1.00 0.00 C ATOM 960 NE ARG B 26 -15.013 -7.404 2.259 1.00 0.00 N ATOM 961 CZ ARG B 26 -15.910 -8.241 1.733 1.00 0.00 C ATOM 962 NH1 ARG B 26 -16.642 -7.873 0.686 1.00 0.00 N ATOM 963 NH2 ARG B 26 -16.062 -9.454 2.245 1.00 0.00 N ATOM 0 H ARG B 26 -11.964 -5.461 -1.768 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.291 -7.097 -1.923 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -13.663 -7.721 0.136 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.177 -6.878 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.644 -6.089 1.882 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.287 -4.807 0.875 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -14.886 -5.350 2.646 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -15.567 -5.761 1.085 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.443 -7.744 3.033 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -16.520 -6.946 0.279 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -17.325 -8.518 0.290 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -15.494 -9.747 3.040 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -16.747 -10.095 1.844 1.00 0.00 H new ATOM 977 N LEU B 27 -14.665 -3.999 -0.982 1.00 0.00 N ATOM 978 CA LEU B 27 -15.641 -2.947 -0.747 1.00 0.00 C ATOM 979 C LEU B 27 -16.387 -2.574 -2.014 1.00 0.00 C ATOM 980 O LEU B 27 -17.597 -2.368 -1.977 1.00 0.00 O ATOM 981 CB LEU B 27 -14.953 -1.728 -0.173 1.00 0.00 C ATOM 982 CG LEU B 27 -14.514 -1.875 1.273 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.452 -0.857 1.593 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.699 -1.729 2.211 1.00 0.00 C ATOM 0 H LEU B 27 -13.697 -3.677 -1.002 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.373 -3.326 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.079 -1.499 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.628 -0.876 -0.250 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.096 -2.872 1.413 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.142 -0.969 2.632 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.593 -1.010 0.940 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.851 0.146 1.439 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.362 -1.838 3.242 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.149 -0.745 2.078 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.437 -2.499 1.987 1.00 0.00 H new ATOM 996 N LYS B 28 -15.662 -2.466 -3.125 1.00 0.00 N ATOM 997 CA LYS B 28 -16.285 -2.234 -4.429 1.00 0.00 C ATOM 998 C LYS B 28 -17.486 -3.157 -4.627 1.00 0.00 C ATOM 999 O LYS B 28 -18.573 -2.705 -4.991 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.280 -2.452 -5.565 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.188 -1.392 -5.652 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.761 -0.001 -5.895 1.00 0.00 C ATOM 1003 CE LYS B 28 -15.522 0.086 -7.212 1.00 0.00 C ATOM 1004 NZ LYS B 28 -14.642 -0.136 -8.390 1.00 0.00 N ATOM 0 H LYS B 28 -14.645 -2.535 -3.150 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.623 -1.198 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.812 -3.428 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.820 -2.478 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.610 -1.390 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.499 -1.646 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.427 0.264 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.951 0.729 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.323 -0.653 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.993 1.066 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.172 0.066 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.818 0.496 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.320 -1.125 -8.401 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.288 -4.442 -4.351 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.341 -5.434 -4.485 1.00 0.00 C ATOM 1020 C LYS B 29 -19.515 -5.121 -3.558 1.00 0.00 C ATOM 1021 O LYS B 29 -20.674 -5.253 -3.950 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.786 -6.824 -4.182 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.601 -7.209 -5.055 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.060 -8.580 -4.692 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.819 -8.913 -5.505 1.00 0.00 C ATOM 1026 NZ LYS B 29 -14.331 -10.292 -5.244 1.00 0.00 N ATOM 0 H LYS B 29 -16.397 -4.820 -4.030 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.707 -5.408 -5.511 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.485 -6.866 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.579 -7.560 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.903 -7.202 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.812 -6.465 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.821 -8.610 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.827 -9.335 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.042 -8.803 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.030 -8.199 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.484 -10.475 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.093 -10.391 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.074 -10.976 -5.493 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.207 -4.680 -2.344 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.232 -4.342 -1.359 1.00 0.00 C ATOM 1042 C LEU B 30 -21.058 -3.134 -1.795 1.00 0.00 C ATOM 1043 O LEU B 30 -22.246 -3.046 -1.485 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.590 -4.067 0.002 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.967 -5.281 0.692 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.320 -4.869 2.004 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -20.013 -6.359 0.935 1.00 0.00 C ATOM 0 H LEU B 30 -18.251 -4.547 -2.015 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.903 -5.197 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.818 -3.308 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.347 -3.644 0.663 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.199 -5.690 0.036 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.881 -5.744 2.484 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.541 -4.132 1.810 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -19.074 -4.435 2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.548 -7.213 1.427 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.804 -5.961 1.570 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.437 -6.676 -0.018 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.432 -2.203 -2.506 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.131 -1.009 -2.973 1.00 0.00 C ATOM 1061 C VAL B 31 -21.951 -1.323 -4.226 1.00 0.00 C ATOM 1062 O VAL B 31 -22.966 -0.680 -4.497 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.154 0.156 -3.264 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.910 1.451 -3.525 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.183 0.338 -2.110 1.00 0.00 C ATOM 0 H VAL B 31 -19.448 -2.250 -2.771 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.800 -0.694 -2.172 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.589 -0.096 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.200 2.253 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.566 1.322 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.507 1.707 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.504 1.161 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.738 0.561 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.609 -0.578 -1.970 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.517 -2.330 -4.974 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.238 -2.729 -6.168 1.00 0.00 C ATOM 1077 C GLY B 32 -21.315 -3.131 -7.301 1.00 0.00 C ATOM 1078 O GLY B 32 -21.581 -2.811 -8.458 1.00 0.00 O ATOM 0 H GLY B 32 -20.679 -2.877 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.897 -3.564 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -22.873 -1.906 -6.496 1.00 0.00 H new ATOM 1082 N GLU B 33 -20.234 -3.832 -6.956 1.00 0.00 N ATOM 1083 CA GLU B 33 -19.253 -4.317 -7.929 1.00 0.00 C ATOM 1084 C GLU B 33 -18.717 -3.170 -8.790 1.00 0.00 C ATOM 1085 O GLU B 33 -17.821 -2.442 -8.313 1.00 0.00 O ATOM 1086 CB GLU B 33 -19.865 -5.413 -8.809 1.00 0.00 C ATOM 1087 CG GLU B 33 -18.853 -6.127 -9.691 1.00 0.00 C ATOM 1088 CD GLU B 33 -19.502 -7.125 -10.630 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -19.767 -8.264 -10.196 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -19.747 -6.763 -11.798 1.00 0.00 O ATOM 1091 OXT GLU B 33 -19.187 -2.998 -9.932 1.00 0.00 O ATOM 0 H GLU B 33 -20.013 -4.080 -5.992 1.00 0.00 H new ATOM 0 HA GLU B 33 -18.414 -4.743 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -20.358 -6.146 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -20.636 -4.971 -9.440 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -18.301 -5.390 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -18.128 -6.643 -9.062 1.00 0.00 H new TER 1098 GLU B 33