USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 16 LYS NZ :NH3+ -112:sc= -0.848 (180deg=-1.04) USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -1.42 F(o=-15!,f=-2.3) USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0482 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 136:sc= -0.042 (180deg=-0.581) USER MOD Single : A 5 THR OG1 : rot -131:sc= -0.697 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -46:sc= -0.4 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 29 SER OG : rot -55:sc= 0.79 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 61:sc= 0.972 USER MOD Single : A 46 MET CE :methyl -151:sc= -0.273 (180deg=-1.45!) USER MOD Single : A 55 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.294 F(o=-1.6!,f=-0.29) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 128:sc= -0.181 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.542 F(o=-5.8!,f=-0.54) USER MOD Single : A 69 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.31) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.209 (180deg=-1.04) USER MOD Single : A 101 PNS O33 : rot 104:sc= -0.025 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.610 -7.623 1.378 1.00 1.00 N ATOM 2 CA ALA A 1 -9.701 -7.557 0.200 1.00 1.00 C ATOM 3 C ALA A 1 -9.348 -8.973 -0.240 1.00 1.00 C ATOM 4 O ALA A 1 -9.257 -9.883 0.583 1.00 1.00 O ATOM 5 CB ALA A 1 -8.427 -6.803 0.579 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.403 -6.832 2.021 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.598 -7.560 1.058 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.465 -8.523 1.879 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.197 -7.034 -0.618 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.762 -6.755 -0.284 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.683 -5.792 0.896 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.925 -7.323 1.395 1.00 1.00 H new ATOM 13 N LYS A 2 -9.145 -9.153 -1.542 1.00 1.00 N ATOM 14 CA LYS A 2 -8.797 -10.464 -2.086 1.00 1.00 C ATOM 15 C LYS A 2 -7.282 -10.592 -2.194 1.00 1.00 C ATOM 16 O LYS A 2 -6.596 -9.644 -2.575 1.00 1.00 O ATOM 17 CB LYS A 2 -9.428 -10.636 -3.481 1.00 1.00 C ATOM 18 CG LYS A 2 -9.440 -9.280 -4.224 1.00 1.00 C ATOM 19 CD LYS A 2 -10.774 -8.559 -3.982 1.00 1.00 C ATOM 20 CE LYS A 2 -10.762 -7.210 -4.692 1.00 1.00 C ATOM 21 NZ LYS A 2 -12.075 -6.539 -4.492 1.00 1.00 N ATOM 0 H LYS A 2 -9.215 -8.411 -2.239 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.179 -11.238 -1.420 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.865 -11.371 -4.056 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.445 -11.017 -3.385 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.614 -8.659 -3.878 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.292 -9.440 -5.292 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.600 -9.168 -4.350 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.934 -8.417 -2.913 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.958 -6.587 -4.300 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.569 -7.347 -5.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -12.071 -5.618 -4.975 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.832 -7.133 -4.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -12.241 -6.396 -3.475 1.00 1.00 H new ATOM 35 N LYS A 3 -6.773 -11.769 -1.864 1.00 1.00 N ATOM 36 CA LYS A 3 -5.342 -12.021 -1.926 1.00 1.00 C ATOM 37 C LYS A 3 -4.767 -11.507 -3.242 1.00 1.00 C ATOM 38 O LYS A 3 -3.566 -11.263 -3.351 1.00 1.00 O ATOM 39 CB LYS A 3 -5.079 -13.529 -1.822 1.00 1.00 C ATOM 40 CG LYS A 3 -6.029 -14.310 -2.772 1.00 1.00 C ATOM 41 CD LYS A 3 -7.141 -14.991 -1.965 1.00 1.00 C ATOM 42 CE LYS A 3 -8.064 -15.749 -2.913 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.294 -16.828 -3.592 1.00 1.00 N ATOM 0 H LYS A 3 -7.329 -12.564 -1.551 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.862 -11.500 -1.097 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.041 -13.742 -2.079 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.228 -13.861 -0.794 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.465 -13.629 -3.503 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.464 -15.057 -3.330 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.709 -15.676 -1.236 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.708 -14.246 -1.406 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.901 -16.176 -2.360 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.485 -15.067 -3.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -7.856 -17.703 -3.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.084 -16.542 -4.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.404 -16.993 -3.081 1.00 1.00 H new ATOM 57 N GLU A 4 -5.632 -11.343 -4.240 1.00 1.00 N ATOM 58 CA GLU A 4 -5.186 -10.852 -5.540 1.00 1.00 C ATOM 59 C GLU A 4 -4.794 -9.385 -5.446 1.00 1.00 C ATOM 60 O GLU A 4 -3.749 -8.982 -5.952 1.00 1.00 O ATOM 61 CB GLU A 4 -6.301 -11.026 -6.580 1.00 1.00 C ATOM 62 CG GLU A 4 -5.722 -10.915 -7.996 1.00 1.00 C ATOM 63 CD GLU A 4 -5.275 -9.481 -8.264 1.00 1.00 C ATOM 64 OE1 GLU A 4 -5.911 -8.578 -7.747 1.00 1.00 O ATOM 65 OE2 GLU A 4 -4.306 -9.308 -8.985 1.00 1.00 O ATOM 0 H GLU A 4 -6.631 -11.540 -4.176 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.315 -11.430 -5.849 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.782 -11.995 -6.450 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -7.069 -10.267 -6.432 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.877 -11.595 -8.107 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.471 -11.215 -8.729 1.00 1.00 H new ATOM 72 N THR A 5 -5.635 -8.596 -4.788 1.00 1.00 N ATOM 73 CA THR A 5 -5.372 -7.171 -4.626 1.00 1.00 C ATOM 74 C THR A 5 -4.123 -6.949 -3.787 1.00 1.00 C ATOM 75 O THR A 5 -3.387 -5.989 -3.994 1.00 1.00 O ATOM 76 CB THR A 5 -6.570 -6.486 -3.963 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.699 -6.585 -4.818 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.245 -5.010 -3.712 1.00 1.00 C ATOM 0 H THR A 5 -6.503 -8.918 -4.359 1.00 1.00 H new ATOM 0 HA THR A 5 -5.212 -6.737 -5.613 1.00 1.00 H new ATOM 0 HB THR A 5 -6.787 -6.973 -3.012 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.117 -5.704 -4.911 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.099 -4.525 -3.240 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.377 -4.935 -3.057 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.027 -4.519 -4.660 1.00 1.00 H new ATOM 86 N ILE A 6 -3.901 -7.837 -2.827 1.00 1.00 N ATOM 87 CA ILE A 6 -2.751 -7.724 -1.938 1.00 1.00 C ATOM 88 C ILE A 6 -1.453 -7.802 -2.734 1.00 1.00 C ATOM 89 O ILE A 6 -0.503 -7.065 -2.465 1.00 1.00 O ATOM 90 CB ILE A 6 -2.780 -8.853 -0.905 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.187 -8.968 -0.319 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.786 -8.542 0.218 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.690 -7.625 0.155 1.00 1.00 C ATOM 0 H ILE A 6 -4.500 -8.642 -2.644 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.799 -6.761 -1.430 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.506 -9.793 -1.385 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.866 -9.369 -1.071 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.181 -9.672 0.513 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.806 -9.345 0.954 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.782 -8.456 -0.198 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -2.062 -7.603 0.698 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.693 -7.737 0.567 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.023 -7.238 0.925 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -4.718 -6.930 -0.684 1.00 1.00 H new ATOM 105 N ASP A 7 -1.415 -8.702 -3.707 1.00 1.00 N ATOM 106 CA ASP A 7 -0.226 -8.872 -4.526 1.00 1.00 C ATOM 107 C ASP A 7 0.090 -7.592 -5.286 1.00 1.00 C ATOM 108 O ASP A 7 1.249 -7.203 -5.409 1.00 1.00 O ATOM 109 CB ASP A 7 -0.436 -10.012 -5.525 1.00 1.00 C ATOM 110 CG ASP A 7 -0.425 -11.351 -4.797 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.130 -11.358 -3.614 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.719 -12.351 -5.434 1.00 1.00 O ATOM 0 H ASP A 7 -2.189 -9.321 -3.946 1.00 1.00 H new ATOM 0 HA ASP A 7 0.610 -9.110 -3.868 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.384 -9.880 -6.046 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.349 -9.993 -6.281 1.00 1.00 H new ATOM 117 N LYS A 8 -0.945 -6.944 -5.805 1.00 1.00 N ATOM 118 CA LYS A 8 -0.745 -5.716 -6.565 1.00 1.00 C ATOM 119 C LYS A 8 -0.035 -4.665 -5.723 1.00 1.00 C ATOM 120 O LYS A 8 0.982 -4.108 -6.133 1.00 1.00 O ATOM 121 CB LYS A 8 -2.095 -5.165 -7.009 1.00 1.00 C ATOM 122 CG LYS A 8 -2.913 -6.281 -7.663 1.00 1.00 C ATOM 123 CD LYS A 8 -4.068 -5.680 -8.484 1.00 1.00 C ATOM 124 CE LYS A 8 -3.572 -5.260 -9.874 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.727 -4.824 -10.704 1.00 1.00 N ATOM 0 H LYS A 8 -1.917 -7.241 -5.716 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.128 -5.948 -7.433 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.633 -4.759 -6.152 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.951 -4.345 -7.713 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.272 -6.882 -8.308 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.309 -6.948 -6.898 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.871 -6.410 -8.582 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.483 -4.817 -7.963 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.849 -4.449 -9.784 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.059 -6.093 -10.355 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.390 -4.540 -11.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -5.401 -5.610 -10.800 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.198 -4.017 -10.247 1.00 1.00 H new ATOM 139 N VAL A 9 -0.576 -4.399 -4.542 1.00 1.00 N ATOM 140 CA VAL A 9 0.022 -3.416 -3.652 1.00 1.00 C ATOM 141 C VAL A 9 1.395 -3.888 -3.184 1.00 1.00 C ATOM 142 O VAL A 9 2.357 -3.125 -3.183 1.00 1.00 O ATOM 143 CB VAL A 9 -0.881 -3.189 -2.435 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.409 -1.955 -1.647 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.322 -2.975 -2.898 1.00 1.00 C ATOM 0 H VAL A 9 -1.419 -4.845 -4.181 1.00 1.00 H new ATOM 0 HA VAL A 9 0.134 -2.480 -4.199 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.830 -4.066 -1.789 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.058 -1.804 -0.785 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.615 -2.110 -1.307 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.449 -1.076 -2.290 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.963 -2.814 -2.031 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.369 -2.103 -3.551 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.664 -3.855 -3.443 1.00 1.00 H new ATOM 155 N SER A 10 1.481 -5.151 -2.785 1.00 1.00 N ATOM 156 CA SER A 10 2.742 -5.704 -2.308 1.00 1.00 C ATOM 157 C SER A 10 3.810 -5.630 -3.392 1.00 1.00 C ATOM 158 O SER A 10 4.962 -5.295 -3.116 1.00 1.00 O ATOM 159 CB SER A 10 2.542 -7.161 -1.892 1.00 1.00 C ATOM 160 OG SER A 10 2.493 -7.982 -3.053 1.00 1.00 O ATOM 0 H SER A 10 0.700 -5.807 -2.782 1.00 1.00 H new ATOM 0 HA SER A 10 3.072 -5.117 -1.451 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.357 -7.480 -1.242 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.619 -7.264 -1.321 1.00 1.00 H new ATOM 0 HG SER A 10 1.902 -7.572 -3.719 1.00 1.00 H new ATOM 166 N ASP A 11 3.422 -5.942 -4.623 1.00 1.00 N ATOM 167 CA ASP A 11 4.359 -5.910 -5.742 1.00 1.00 C ATOM 168 C ASP A 11 4.933 -4.511 -5.920 1.00 1.00 C ATOM 169 O ASP A 11 6.133 -4.337 -6.088 1.00 1.00 O ATOM 170 CB ASP A 11 3.651 -6.333 -7.022 1.00 1.00 C ATOM 171 CG ASP A 11 4.672 -6.574 -8.130 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.817 -6.195 -7.947 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.295 -7.137 -9.145 1.00 1.00 O ATOM 0 H ASP A 11 2.472 -6.218 -4.872 1.00 1.00 H new ATOM 0 HA ASP A 11 5.174 -6.601 -5.529 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.074 -7.241 -6.845 1.00 1.00 H new ATOM 0 HB3 ASP A 11 2.945 -5.561 -7.329 1.00 1.00 H new ATOM 178 N ILE A 12 4.065 -3.513 -5.884 1.00 1.00 N ATOM 179 CA ILE A 12 4.502 -2.133 -6.034 1.00 1.00 C ATOM 180 C ILE A 12 5.301 -1.685 -4.816 1.00 1.00 C ATOM 181 O ILE A 12 6.313 -1.000 -4.942 1.00 1.00 O ATOM 182 CB ILE A 12 3.290 -1.224 -6.211 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.497 -1.671 -7.448 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.762 0.223 -6.393 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.081 -1.112 -7.376 1.00 1.00 C ATOM 0 H ILE A 12 3.060 -3.630 -5.753 1.00 1.00 H new ATOM 0 HA ILE A 12 5.141 -2.068 -6.915 1.00 1.00 H new ATOM 0 HB ILE A 12 2.651 -1.286 -5.330 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.991 -1.322 -8.355 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.467 -2.759 -7.500 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.897 0.875 -6.520 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.326 0.535 -5.514 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.399 0.290 -7.275 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.519 -1.430 -8.254 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.589 -1.483 -6.477 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.121 -0.023 -7.345 1.00 1.00 H new ATOM 197 N VAL A 13 4.825 -2.061 -3.633 1.00 1.00 N ATOM 198 CA VAL A 13 5.500 -1.662 -2.399 1.00 1.00 C ATOM 199 C VAL A 13 6.901 -2.264 -2.308 1.00 1.00 C ATOM 200 O VAL A 13 7.877 -1.552 -2.101 1.00 1.00 O ATOM 201 CB VAL A 13 4.677 -2.122 -1.189 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.477 -1.907 0.104 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.374 -1.323 -1.121 1.00 1.00 C ATOM 0 H VAL A 13 3.990 -2.631 -3.501 1.00 1.00 H new ATOM 0 HA VAL A 13 5.591 -0.576 -2.404 1.00 1.00 H new ATOM 0 HB VAL A 13 4.450 -3.183 -1.297 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.884 -2.236 0.957 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.401 -2.483 0.060 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.714 -0.849 0.214 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.790 -1.651 -0.261 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.603 -0.262 -1.021 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.799 -1.486 -2.033 1.00 1.00 H new ATOM 213 N LYS A 14 6.988 -3.576 -2.459 1.00 1.00 N ATOM 214 CA LYS A 14 8.272 -4.252 -2.379 1.00 1.00 C ATOM 215 C LYS A 14 9.201 -3.768 -3.487 1.00 1.00 C ATOM 216 O LYS A 14 10.418 -3.707 -3.311 1.00 1.00 O ATOM 217 CB LYS A 14 8.064 -5.766 -2.487 1.00 1.00 C ATOM 218 CG LYS A 14 7.721 -6.143 -3.932 1.00 1.00 C ATOM 219 CD LYS A 14 7.185 -7.572 -3.982 1.00 1.00 C ATOM 220 CE LYS A 14 8.204 -8.522 -3.353 1.00 1.00 C ATOM 221 NZ LYS A 14 7.895 -9.918 -3.763 1.00 1.00 N ATOM 0 H LYS A 14 6.192 -4.189 -2.636 1.00 1.00 H new ATOM 0 HA LYS A 14 8.734 -4.020 -1.419 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.966 -6.289 -2.170 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.262 -6.080 -1.820 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.978 -5.452 -4.331 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.607 -6.055 -4.560 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.236 -7.635 -3.449 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.990 -7.863 -5.014 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.212 -8.253 -3.669 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.176 -8.436 -2.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.587 -10.566 -3.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.939 -10.171 -3.441 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.942 -9.994 -4.799 1.00 1.00 H new ATOM 235 N GLU A 15 8.615 -3.434 -4.630 1.00 1.00 N ATOM 236 CA GLU A 15 9.398 -2.965 -5.763 1.00 1.00 C ATOM 237 C GLU A 15 9.969 -1.580 -5.492 1.00 1.00 C ATOM 238 O GLU A 15 11.106 -1.279 -5.850 1.00 1.00 O ATOM 239 CB GLU A 15 8.532 -2.929 -7.020 1.00 1.00 C ATOM 240 CG GLU A 15 9.388 -2.519 -8.222 1.00 1.00 C ATOM 241 CD GLU A 15 8.554 -2.572 -9.498 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.478 -3.145 -9.456 1.00 1.00 O ATOM 243 OE2 GLU A 15 9.002 -2.036 -10.499 1.00 1.00 O ATOM 0 H GLU A 15 7.609 -3.479 -4.795 1.00 1.00 H new ATOM 0 HA GLU A 15 10.226 -3.658 -5.914 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.087 -3.908 -7.195 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.711 -2.224 -6.888 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.778 -1.512 -8.074 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.247 -3.184 -8.311 1.00 1.00 H new ATOM 250 N LYS A 16 9.163 -0.738 -4.868 1.00 1.00 N ATOM 251 CA LYS A 16 9.583 0.619 -4.553 1.00 1.00 C ATOM 252 C LYS A 16 10.652 0.636 -3.471 1.00 1.00 C ATOM 253 O LYS A 16 11.560 1.464 -3.494 1.00 1.00 O ATOM 254 CB LYS A 16 8.381 1.433 -4.085 1.00 1.00 C ATOM 255 CG LYS A 16 7.411 1.653 -5.264 1.00 1.00 C ATOM 256 CD LYS A 16 7.789 2.930 -6.041 1.00 1.00 C ATOM 257 CE LYS A 16 7.182 4.159 -5.355 1.00 1.00 C ATOM 258 NZ LYS A 16 7.430 5.364 -6.190 1.00 1.00 N ATOM 0 H LYS A 16 8.215 -0.968 -4.569 1.00 1.00 H new ATOM 0 HA LYS A 16 10.005 1.057 -5.458 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.871 0.913 -3.274 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.712 2.393 -3.690 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.439 0.792 -5.932 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.390 1.735 -4.892 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.873 3.029 -6.089 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.429 2.861 -7.068 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.111 4.017 -5.211 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.622 4.291 -4.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.096 5.995 -5.700 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.835 5.076 -7.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.533 5.865 -6.351 1.00 1.00 H new ATOM 272 N LEU A 17 10.521 -0.269 -2.510 1.00 1.00 N ATOM 273 CA LEU A 17 11.466 -0.336 -1.401 1.00 1.00 C ATOM 274 C LEU A 17 12.681 -1.181 -1.768 1.00 1.00 C ATOM 275 O LEU A 17 13.687 -1.169 -1.061 1.00 1.00 O ATOM 276 CB LEU A 17 10.775 -0.936 -0.176 1.00 1.00 C ATOM 277 CG LEU A 17 9.546 -0.089 0.194 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.820 -0.738 1.377 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.979 1.338 0.573 1.00 1.00 C ATOM 0 H LEU A 17 9.775 -0.963 -2.475 1.00 1.00 H new ATOM 0 HA LEU A 17 11.806 0.675 -1.177 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.472 -1.962 -0.384 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.469 -0.973 0.663 1.00 1.00 H new ATOM 0 HG LEU A 17 8.876 -0.037 -0.664 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.948 -0.140 1.642 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.500 -1.743 1.101 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.494 -0.794 2.231 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.100 1.928 0.833 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.655 1.298 1.427 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.489 1.800 -0.272 1.00 1.00 H new ATOM 291 N ALA A 18 12.586 -1.903 -2.875 1.00 1.00 N ATOM 292 CA ALA A 18 13.691 -2.742 -3.320 1.00 1.00 C ATOM 293 C ALA A 18 13.323 -3.462 -4.609 1.00 1.00 C ATOM 294 O ALA A 18 12.295 -3.184 -5.207 1.00 1.00 O ATOM 295 CB ALA A 18 14.030 -3.766 -2.237 1.00 1.00 C ATOM 0 H ALA A 18 11.763 -1.926 -3.477 1.00 1.00 H new ATOM 0 HA ALA A 18 14.559 -2.109 -3.506 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.857 -4.391 -2.574 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.317 -3.247 -1.322 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.159 -4.391 -2.042 1.00 1.00 H new ATOM 301 N LEU A 19 14.174 -4.389 -5.031 1.00 1.00 N ATOM 302 CA LEU A 19 13.921 -5.145 -6.252 1.00 1.00 C ATOM 303 C LEU A 19 12.901 -6.250 -5.992 1.00 1.00 C ATOM 304 O LEU A 19 12.232 -6.719 -6.913 1.00 1.00 O ATOM 305 CB LEU A 19 15.232 -5.757 -6.762 1.00 1.00 C ATOM 306 CG LEU A 19 16.044 -4.688 -7.496 1.00 1.00 C ATOM 307 CD1 LEU A 19 16.344 -3.527 -6.540 1.00 1.00 C ATOM 308 CD2 LEU A 19 17.355 -5.301 -7.992 1.00 1.00 C ATOM 0 H LEU A 19 15.039 -4.635 -4.550 1.00 1.00 H new ATOM 0 HA LEU A 19 13.519 -4.469 -7.007 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.808 -6.157 -5.927 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.020 -6.591 -7.431 1.00 1.00 H new ATOM 0 HG LEU A 19 15.474 -4.314 -8.347 1.00 1.00 H new ATOM 0 HD11 LEU A 19 16.923 -2.765 -7.063 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.408 -3.094 -6.189 1.00 1.00 H new ATOM 0 HD13 LEU A 19 16.915 -3.896 -5.688 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.936 -4.542 -8.516 1.00 1.00 H new ATOM 0 HD22 LEU A 19 17.927 -5.674 -7.142 1.00 1.00 H new ATOM 0 HD23 LEU A 19 17.137 -6.124 -8.672 1.00 1.00 H new ATOM 320 N GLY A 20 12.791 -6.664 -4.733 1.00 1.00 N ATOM 321 CA GLY A 20 11.851 -7.721 -4.361 1.00 1.00 C ATOM 322 C GLY A 20 12.524 -9.087 -4.415 1.00 1.00 C ATOM 323 O GLY A 20 12.007 -10.066 -3.873 1.00 1.00 O ATOM 0 H GLY A 20 13.336 -6.288 -3.957 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.470 -7.538 -3.356 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.994 -7.706 -5.035 1.00 1.00 H new ATOM 327 N ALA A 21 13.677 -9.151 -5.074 1.00 1.00 N ATOM 328 CA ALA A 21 14.407 -10.408 -5.195 1.00 1.00 C ATOM 329 C ALA A 21 14.990 -10.830 -3.852 1.00 1.00 C ATOM 330 O ALA A 21 14.827 -11.974 -3.425 1.00 1.00 O ATOM 331 CB ALA A 21 15.538 -10.260 -6.212 1.00 1.00 C ATOM 0 H ALA A 21 14.123 -8.354 -5.529 1.00 1.00 H new ATOM 0 HA ALA A 21 13.708 -11.174 -5.531 1.00 1.00 H new ATOM 0 HB1 ALA A 21 16.078 -11.203 -6.296 1.00 1.00 H new ATOM 0 HB2 ALA A 21 15.121 -9.993 -7.183 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.223 -9.478 -5.883 1.00 1.00 H new ATOM 337 N ASP A 22 15.674 -9.900 -3.189 1.00 1.00 N ATOM 338 CA ASP A 22 16.287 -10.180 -1.891 1.00 1.00 C ATOM 339 C ASP A 22 15.383 -9.719 -0.756 1.00 1.00 C ATOM 340 O ASP A 22 15.750 -9.812 0.417 1.00 1.00 O ATOM 341 CB ASP A 22 17.634 -9.467 -1.786 1.00 1.00 C ATOM 342 CG ASP A 22 18.622 -10.080 -2.771 1.00 1.00 C ATOM 343 OD1 ASP A 22 18.327 -11.145 -3.289 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.656 -9.475 -2.997 1.00 1.00 O ATOM 0 H ASP A 22 15.818 -8.949 -3.527 1.00 1.00 H new ATOM 0 HA ASP A 22 16.434 -11.257 -1.809 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.510 -8.404 -1.995 1.00 1.00 H new ATOM 0 HB3 ASP A 22 18.021 -9.549 -0.770 1.00 1.00 H new ATOM 349 N VAL A 23 14.199 -9.221 -1.106 1.00 1.00 N ATOM 350 CA VAL A 23 13.239 -8.741 -0.109 1.00 1.00 C ATOM 351 C VAL A 23 11.940 -9.525 -0.208 1.00 1.00 C ATOM 352 O VAL A 23 11.419 -9.748 -1.301 1.00 1.00 O ATOM 353 CB VAL A 23 12.955 -7.257 -0.332 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.958 -6.771 0.721 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.260 -6.466 -0.210 1.00 1.00 C ATOM 0 H VAL A 23 13.880 -9.138 -2.071 1.00 1.00 H new ATOM 0 HA VAL A 23 13.667 -8.884 0.883 1.00 1.00 H new ATOM 0 HB VAL A 23 12.535 -7.108 -1.327 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.752 -5.712 0.566 1.00 1.00 H new ATOM 0 HG12 VAL A 23 11.031 -7.338 0.633 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.379 -6.917 1.716 1.00 1.00 H new ATOM 0 HG21 VAL A 23 14.059 -5.406 -0.369 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.681 -6.610 0.785 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.970 -6.817 -0.959 1.00 1.00 H new ATOM 365 N VAL A 24 11.421 -9.946 0.943 1.00 1.00 N ATOM 366 CA VAL A 24 10.175 -10.713 0.992 1.00 1.00 C ATOM 367 C VAL A 24 9.110 -9.935 1.750 1.00 1.00 C ATOM 368 O VAL A 24 9.343 -9.460 2.862 1.00 1.00 O ATOM 369 CB VAL A 24 10.416 -12.053 1.689 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.852 -11.814 3.137 1.00 1.00 C ATOM 371 CG2 VAL A 24 9.121 -12.868 1.674 1.00 1.00 C ATOM 0 H VAL A 24 11.843 -9.770 1.855 1.00 1.00 H new ATOM 0 HA VAL A 24 9.833 -10.889 -0.028 1.00 1.00 H new ATOM 0 HB VAL A 24 11.201 -12.598 1.165 1.00 1.00 H new ATOM 0 HG11 VAL A 24 11.022 -12.772 3.629 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.773 -11.232 3.148 1.00 1.00 H new ATOM 0 HG13 VAL A 24 10.071 -11.268 3.667 1.00 1.00 H new ATOM 0 HG21 VAL A 24 9.287 -13.824 2.170 1.00 1.00 H new ATOM 0 HG22 VAL A 24 8.339 -12.319 2.198 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.813 -13.042 0.643 1.00 1.00 H new ATOM 381 N VAL A 25 7.937 -9.801 1.134 1.00 1.00 N ATOM 382 CA VAL A 25 6.823 -9.074 1.744 1.00 1.00 C ATOM 383 C VAL A 25 5.645 -10.009 1.979 1.00 1.00 C ATOM 384 O VAL A 25 5.408 -10.933 1.201 1.00 1.00 O ATOM 385 CB VAL A 25 6.385 -7.926 0.837 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.810 -8.493 -0.462 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.312 -7.099 1.550 1.00 1.00 C ATOM 0 H VAL A 25 7.732 -10.186 0.212 1.00 1.00 H new ATOM 0 HA VAL A 25 7.158 -8.673 2.701 1.00 1.00 H new ATOM 0 HB VAL A 25 7.243 -7.294 0.609 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.497 -7.674 -1.110 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.572 -9.086 -0.969 1.00 1.00 H new ATOM 0 HG13 VAL A 25 4.951 -9.124 -0.235 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.997 -6.278 0.905 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.454 -7.733 1.776 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.720 -6.696 2.477 1.00 1.00 H new ATOM 397 N THR A 26 4.909 -9.763 3.059 1.00 1.00 N ATOM 398 CA THR A 26 3.748 -10.588 3.406 1.00 1.00 C ATOM 399 C THR A 26 2.600 -9.712 3.903 1.00 1.00 C ATOM 400 O THR A 26 2.810 -8.579 4.336 1.00 1.00 O ATOM 401 CB THR A 26 4.140 -11.609 4.489 1.00 1.00 C ATOM 402 OG1 THR A 26 5.094 -11.023 5.364 1.00 1.00 O ATOM 403 CG2 THR A 26 4.741 -12.856 3.839 1.00 1.00 C ATOM 0 H THR A 26 5.093 -9.000 3.711 1.00 1.00 H new ATOM 0 HA THR A 26 3.416 -11.120 2.515 1.00 1.00 H new ATOM 0 HB THR A 26 3.251 -11.895 5.052 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.344 -11.670 6.056 1.00 1.00 H new ATOM 0 HG21 THR A 26 5.016 -13.573 4.613 1.00 1.00 H new ATOM 0 HG22 THR A 26 4.008 -13.307 3.170 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.628 -12.578 3.270 1.00 1.00 H new ATOM 411 N ALA A 27 1.386 -10.250 3.837 1.00 1.00 N ATOM 412 CA ALA A 27 0.211 -9.530 4.281 1.00 1.00 C ATOM 413 C ALA A 27 0.380 -9.095 5.733 1.00 1.00 C ATOM 414 O ALA A 27 -0.191 -8.095 6.163 1.00 1.00 O ATOM 415 CB ALA A 27 -1.017 -10.437 4.143 1.00 1.00 C ATOM 0 H ALA A 27 1.196 -11.186 3.478 1.00 1.00 H new ATOM 0 HA ALA A 27 0.077 -8.640 3.666 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.905 -9.900 4.476 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.139 -10.728 3.100 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.881 -11.329 4.755 1.00 1.00 H new ATOM 421 N ASP A 28 1.168 -9.858 6.484 1.00 1.00 N ATOM 422 CA ASP A 28 1.402 -9.545 7.892 1.00 1.00 C ATOM 423 C ASP A 28 2.594 -8.605 8.044 1.00 1.00 C ATOM 424 O ASP A 28 2.835 -8.061 9.123 1.00 1.00 O ATOM 425 CB ASP A 28 1.670 -10.831 8.673 1.00 1.00 C ATOM 426 CG ASP A 28 1.582 -10.558 10.172 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.492 -9.399 10.540 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.608 -11.514 10.932 1.00 1.00 O ATOM 0 H ASP A 28 1.652 -10.690 6.147 1.00 1.00 H new ATOM 0 HA ASP A 28 0.512 -9.054 8.286 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.946 -11.595 8.391 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.657 -11.219 8.423 1.00 1.00 H new ATOM 433 N SER A 29 3.339 -8.417 6.958 1.00 1.00 N ATOM 434 CA SER A 29 4.504 -7.543 6.991 1.00 1.00 C ATOM 435 C SER A 29 4.076 -6.097 7.206 1.00 1.00 C ATOM 436 O SER A 29 3.048 -5.659 6.691 1.00 1.00 O ATOM 437 CB SER A 29 5.273 -7.653 5.675 1.00 1.00 C ATOM 438 OG SER A 29 4.545 -6.990 4.649 1.00 1.00 O ATOM 0 H SER A 29 3.158 -8.854 6.054 1.00 1.00 H new ATOM 0 HA SER A 29 5.146 -7.851 7.816 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.263 -7.208 5.780 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.421 -8.701 5.413 1.00 1.00 H new ATOM 0 HG SER A 29 3.637 -7.355 4.604 1.00 1.00 H new ATOM 444 N GLU A 30 4.876 -5.354 7.968 1.00 1.00 N ATOM 445 CA GLU A 30 4.579 -3.950 8.248 1.00 1.00 C ATOM 446 C GLU A 30 5.397 -3.046 7.336 1.00 1.00 C ATOM 447 O GLU A 30 6.543 -3.346 7.021 1.00 1.00 O ATOM 448 CB GLU A 30 4.904 -3.629 9.708 1.00 1.00 C ATOM 449 CG GLU A 30 3.932 -4.378 10.621 1.00 1.00 C ATOM 450 CD GLU A 30 4.314 -4.165 12.081 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.289 -3.473 12.321 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.625 -4.695 12.936 1.00 1.00 O ATOM 0 H GLU A 30 5.732 -5.699 8.402 1.00 1.00 H new ATOM 0 HA GLU A 30 3.519 -3.776 8.066 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.930 -3.918 9.936 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.829 -2.555 9.881 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.915 -4.027 10.448 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.946 -5.442 10.385 1.00 1.00 H new ATOM 459 N PHE A 31 4.801 -1.936 6.918 1.00 1.00 N ATOM 460 CA PHE A 31 5.488 -0.999 6.039 1.00 1.00 C ATOM 461 C PHE A 31 6.789 -0.522 6.673 1.00 1.00 C ATOM 462 O PHE A 31 7.797 -0.348 5.988 1.00 1.00 O ATOM 463 CB PHE A 31 4.583 0.205 5.756 1.00 1.00 C ATOM 464 CG PHE A 31 3.476 -0.202 4.811 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.729 -0.291 3.434 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.195 -0.490 5.305 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.704 -0.661 2.561 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.174 -0.861 4.426 1.00 1.00 C ATOM 469 CZ PHE A 31 1.429 -0.948 3.056 1.00 1.00 C ATOM 0 H PHE A 31 3.851 -1.664 7.171 1.00 1.00 H new ATOM 0 HA PHE A 31 5.721 -1.509 5.104 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.160 0.581 6.687 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.166 1.016 5.321 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.715 -0.074 3.050 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.998 -0.425 6.365 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.897 -0.726 1.500 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.187 -1.081 4.806 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.640 -1.237 2.378 1.00 1.00 H new ATOM 479 N SER A 32 6.766 -0.325 7.986 1.00 1.00 N ATOM 480 CA SER A 32 7.955 0.125 8.699 1.00 1.00 C ATOM 481 C SER A 32 9.055 -0.931 8.635 1.00 1.00 C ATOM 482 O SER A 32 10.235 -0.607 8.509 1.00 1.00 O ATOM 483 CB SER A 32 7.605 0.414 10.158 1.00 1.00 C ATOM 484 OG SER A 32 7.089 -0.766 10.760 1.00 1.00 O ATOM 0 H SER A 32 5.945 -0.468 8.574 1.00 1.00 H new ATOM 0 HA SER A 32 8.319 1.036 8.223 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.490 0.753 10.696 1.00 1.00 H new ATOM 0 HB3 SER A 32 6.870 1.217 10.215 1.00 1.00 H new ATOM 0 HG SER A 32 6.865 -0.584 11.697 1.00 1.00 H new ATOM 490 N LYS A 33 8.659 -2.195 8.724 1.00 1.00 N ATOM 491 CA LYS A 33 9.618 -3.294 8.678 1.00 1.00 C ATOM 492 C LYS A 33 10.341 -3.327 7.338 1.00 1.00 C ATOM 493 O LYS A 33 11.543 -3.581 7.278 1.00 1.00 O ATOM 494 CB LYS A 33 8.894 -4.624 8.909 1.00 1.00 C ATOM 495 CG LYS A 33 8.462 -4.752 10.379 1.00 1.00 C ATOM 496 CD LYS A 33 9.628 -5.278 11.225 1.00 1.00 C ATOM 497 CE LYS A 33 9.172 -5.446 12.671 1.00 1.00 C ATOM 498 NZ LYS A 33 10.309 -5.958 13.484 1.00 1.00 N ATOM 0 H LYS A 33 7.686 -2.484 8.828 1.00 1.00 H new ATOM 0 HA LYS A 33 10.357 -3.140 9.465 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.021 -4.687 8.260 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.550 -5.453 8.643 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.136 -3.783 10.757 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.610 -5.428 10.459 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.977 -6.232 10.829 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.468 -4.586 11.176 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.825 -4.493 13.069 1.00 1.00 H new ATOM 0 HE3 LYS A 33 8.331 -6.138 12.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.005 -6.075 14.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.620 -6.876 13.107 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 11.098 -5.281 13.443 1.00 1.00 H new ATOM 512 N LEU A 34 9.602 -3.072 6.272 1.00 1.00 N ATOM 513 CA LEU A 34 10.180 -3.078 4.937 1.00 1.00 C ATOM 514 C LEU A 34 11.183 -1.943 4.787 1.00 1.00 C ATOM 515 O LEU A 34 12.048 -1.981 3.911 1.00 1.00 O ATOM 516 CB LEU A 34 9.077 -2.936 3.889 1.00 1.00 C ATOM 517 CG LEU A 34 8.036 -4.043 4.085 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.906 -3.870 3.066 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.693 -5.424 3.907 1.00 1.00 C ATOM 0 H LEU A 34 8.605 -2.859 6.303 1.00 1.00 H new ATOM 0 HA LEU A 34 10.697 -4.026 4.787 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.603 -1.958 3.975 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.503 -2.997 2.888 1.00 1.00 H new ATOM 0 HG LEU A 34 7.627 -3.975 5.093 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.166 -4.658 3.206 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.433 -2.898 3.209 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.314 -3.930 2.057 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.945 -6.204 4.048 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.112 -5.501 2.904 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.488 -5.546 4.643 1.00 1.00 H new ATOM 531 N GLY A 35 11.069 -0.937 5.648 1.00 1.00 N ATOM 532 CA GLY A 35 11.976 0.210 5.608 1.00 1.00 C ATOM 533 C GLY A 35 11.280 1.437 5.032 1.00 1.00 C ATOM 534 O GLY A 35 11.909 2.473 4.815 1.00 1.00 O ATOM 0 H GLY A 35 10.361 -0.890 6.381 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.335 0.430 6.614 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.850 -0.034 5.004 1.00 1.00 H new ATOM 538 N ALA A 36 9.979 1.319 4.789 1.00 1.00 N ATOM 539 CA ALA A 36 9.216 2.429 4.243 1.00 1.00 C ATOM 540 C ALA A 36 9.250 3.618 5.196 1.00 1.00 C ATOM 541 O ALA A 36 8.633 3.590 6.262 1.00 1.00 O ATOM 542 CB ALA A 36 7.766 2.001 4.023 1.00 1.00 C ATOM 0 H ALA A 36 9.437 0.472 4.961 1.00 1.00 H new ATOM 0 HA ALA A 36 9.662 2.722 3.292 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.198 2.836 3.614 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.735 1.165 3.325 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.328 1.696 4.974 1.00 1.00 H new ATOM 548 N ASP A 37 9.972 4.667 4.803 1.00 1.00 N ATOM 549 CA ASP A 37 10.083 5.875 5.623 1.00 1.00 C ATOM 550 C ASP A 37 9.164 6.963 5.092 1.00 1.00 C ATOM 551 O ASP A 37 8.324 6.713 4.233 1.00 1.00 O ATOM 552 CB ASP A 37 11.526 6.378 5.619 1.00 1.00 C ATOM 553 CG ASP A 37 11.729 7.420 6.712 1.00 1.00 C ATOM 554 OD1 ASP A 37 10.917 7.459 7.623 1.00 1.00 O ATOM 555 OD2 ASP A 37 12.687 8.167 6.622 1.00 1.00 O ATOM 0 H ASP A 37 10.488 4.706 3.924 1.00 1.00 H new ATOM 0 HA ASP A 37 9.788 5.629 6.643 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.209 5.543 5.773 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.764 6.810 4.647 1.00 1.00 H new ATOM 560 N SER A 38 9.326 8.169 5.614 1.00 1.00 N ATOM 561 CA SER A 38 8.500 9.293 5.188 1.00 1.00 C ATOM 562 C SER A 38 8.708 9.573 3.701 1.00 1.00 C ATOM 563 O SER A 38 7.750 9.784 2.957 1.00 1.00 O ATOM 564 CB SER A 38 8.862 10.537 6.007 1.00 1.00 C ATOM 0 H SER A 38 10.017 8.396 6.329 1.00 1.00 H new ATOM 0 HA SER A 38 7.452 9.043 5.352 1.00 1.00 H new ATOM 569 N LEU A 39 9.965 9.574 3.280 1.00 1.00 N ATOM 570 CA LEU A 39 10.299 9.832 1.883 1.00 1.00 C ATOM 571 C LEU A 39 9.750 8.731 0.996 1.00 1.00 C ATOM 572 O LEU A 39 9.317 8.982 -0.124 1.00 1.00 O ATOM 573 CB LEU A 39 11.815 9.928 1.713 1.00 1.00 C ATOM 574 CG LEU A 39 12.346 11.153 2.475 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.877 11.111 2.491 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.871 12.459 1.804 1.00 1.00 C ATOM 0 H LEU A 39 10.769 9.400 3.882 1.00 1.00 H new ATOM 0 HA LEU A 39 9.847 10.779 1.588 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.291 9.021 2.087 1.00 1.00 H new ATOM 0 HB3 LEU A 39 12.068 10.008 0.656 1.00 1.00 H new ATOM 0 HG LEU A 39 11.962 11.129 3.495 1.00 1.00 H new ATOM 0 HD11 LEU A 39 14.259 11.978 3.030 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.211 10.199 2.986 1.00 1.00 H new ATOM 0 HD13 LEU A 39 14.252 11.126 1.468 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.257 13.314 2.358 1.00 1.00 H new ATOM 0 HD22 LEU A 39 12.238 12.495 0.778 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.781 12.491 1.801 1.00 1.00 H new ATOM 588 N ASP A 40 9.794 7.505 1.493 1.00 1.00 N ATOM 589 CA ASP A 40 9.286 6.366 0.737 1.00 1.00 C ATOM 590 C ASP A 40 7.776 6.241 0.884 1.00 1.00 C ATOM 591 O ASP A 40 7.062 6.093 -0.098 1.00 1.00 O ATOM 592 CB ASP A 40 9.953 5.082 1.222 1.00 1.00 C ATOM 593 CG ASP A 40 11.411 5.061 0.779 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.755 5.841 -0.095 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.161 4.267 1.318 1.00 1.00 O ATOM 0 H ASP A 40 10.173 7.271 2.411 1.00 1.00 H new ATOM 0 HA ASP A 40 9.519 6.527 -0.316 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.892 5.017 2.308 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.429 4.215 0.821 1.00 1.00 H new ATOM 600 N THR A 41 7.298 6.291 2.124 1.00 1.00 N ATOM 601 CA THR A 41 5.874 6.152 2.396 1.00 1.00 C ATOM 602 C THR A 41 5.041 7.005 1.451 1.00 1.00 C ATOM 603 O THR A 41 4.041 6.540 0.911 1.00 1.00 O ATOM 604 CB THR A 41 5.576 6.574 3.844 1.00 1.00 C ATOM 605 OG1 THR A 41 6.200 5.666 4.744 1.00 1.00 O ATOM 606 CG2 THR A 41 4.062 6.576 4.088 1.00 1.00 C ATOM 0 H THR A 41 7.876 6.426 2.954 1.00 1.00 H new ATOM 0 HA THR A 41 5.608 5.106 2.245 1.00 1.00 H new ATOM 0 HB THR A 41 5.967 7.578 4.009 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.170 5.685 4.607 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.860 6.876 5.116 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.584 7.278 3.404 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.665 5.576 3.917 1.00 1.00 H new ATOM 614 N VAL A 42 5.454 8.243 1.258 1.00 1.00 N ATOM 615 CA VAL A 42 4.723 9.145 0.376 1.00 1.00 C ATOM 616 C VAL A 42 4.744 8.621 -1.058 1.00 1.00 C ATOM 617 O VAL A 42 3.765 8.757 -1.790 1.00 1.00 O ATOM 618 CB VAL A 42 5.344 10.542 0.427 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.779 10.474 -0.085 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.529 11.500 -0.445 1.00 1.00 C ATOM 0 H VAL A 42 6.283 8.648 1.693 1.00 1.00 H new ATOM 0 HA VAL A 42 3.688 9.200 0.714 1.00 1.00 H new ATOM 0 HB VAL A 42 5.341 10.905 1.455 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.225 11.468 -0.050 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.357 9.795 0.541 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.782 10.111 -1.113 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.974 12.494 -0.407 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.527 11.143 -1.475 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.505 11.546 -0.075 1.00 1.00 H new ATOM 630 N GLU A 43 5.861 8.018 -1.449 1.00 1.00 N ATOM 631 CA GLU A 43 5.992 7.476 -2.790 1.00 1.00 C ATOM 632 C GLU A 43 5.072 6.277 -2.975 1.00 1.00 C ATOM 633 O GLU A 43 4.541 6.049 -4.063 1.00 1.00 O ATOM 634 CB GLU A 43 7.442 7.064 -3.044 1.00 1.00 C ATOM 635 CG GLU A 43 8.338 8.305 -3.075 1.00 1.00 C ATOM 636 CD GLU A 43 7.990 9.173 -4.278 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.415 8.647 -5.217 1.00 1.00 O ATOM 638 OE2 GLU A 43 8.301 10.352 -4.244 1.00 1.00 O ATOM 0 H GLU A 43 6.683 7.894 -0.858 1.00 1.00 H new ATOM 0 HA GLU A 43 5.706 8.246 -3.506 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.778 6.382 -2.263 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.516 6.527 -3.990 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.212 8.877 -2.156 1.00 1.00 H new ATOM 0 HG3 GLU A 43 9.385 8.006 -3.123 1.00 1.00 H new ATOM 645 N ILE A 44 4.888 5.511 -1.908 1.00 1.00 N ATOM 646 CA ILE A 44 4.029 4.331 -1.967 1.00 1.00 C ATOM 647 C ILE A 44 2.606 4.721 -2.329 1.00 1.00 C ATOM 648 O ILE A 44 2.003 4.137 -3.225 1.00 1.00 O ATOM 649 CB ILE A 44 4.029 3.613 -0.613 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.459 3.251 -0.205 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.194 2.346 -0.693 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.145 2.415 -1.291 1.00 1.00 C ATOM 0 H ILE A 44 5.317 5.681 -0.998 1.00 1.00 H new ATOM 0 HA ILE A 44 4.420 3.663 -2.735 1.00 1.00 H new ATOM 0 HB ILE A 44 3.601 4.283 0.132 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.031 4.161 -0.026 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.444 2.694 0.732 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.201 1.844 0.274 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.169 2.602 -0.962 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.612 1.682 -1.449 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.160 2.171 -0.976 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.584 1.494 -1.450 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.180 2.984 -2.220 1.00 1.00 H new ATOM 664 N VAL A 45 2.072 5.711 -1.635 1.00 1.00 N ATOM 665 CA VAL A 45 0.713 6.161 -1.901 1.00 1.00 C ATOM 666 C VAL A 45 0.610 6.775 -3.293 1.00 1.00 C ATOM 667 O VAL A 45 -0.335 6.512 -4.031 1.00 1.00 O ATOM 668 CB VAL A 45 0.294 7.192 -0.857 1.00 1.00 C ATOM 669 CG1 VAL A 45 -1.219 7.401 -0.921 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.685 6.696 0.535 1.00 1.00 C ATOM 0 H VAL A 45 2.552 6.216 -0.890 1.00 1.00 H new ATOM 0 HA VAL A 45 0.050 5.298 -1.849 1.00 1.00 H new ATOM 0 HB VAL A 45 0.797 8.138 -1.059 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.516 8.138 -0.175 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.495 7.758 -1.913 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.726 6.457 -0.721 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.386 7.432 1.281 1.00 1.00 H new ATOM 0 HG22 VAL A 45 0.184 5.750 0.738 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.765 6.552 0.580 1.00 1.00 H new ATOM 680 N MET A 46 1.586 7.604 -3.640 1.00 1.00 N ATOM 681 CA MET A 46 1.580 8.263 -4.940 1.00 1.00 C ATOM 682 C MET A 46 1.478 7.240 -6.067 1.00 1.00 C ATOM 683 O MET A 46 0.666 7.390 -6.978 1.00 1.00 O ATOM 684 CB MET A 46 2.863 9.079 -5.112 1.00 1.00 C ATOM 685 CG MET A 46 2.822 9.840 -6.443 1.00 1.00 C ATOM 686 SD MET A 46 4.344 10.804 -6.636 1.00 1.00 S ATOM 687 CE MET A 46 4.083 11.936 -5.248 1.00 1.00 C ATOM 0 H MET A 46 2.383 7.835 -3.047 1.00 1.00 H new ATOM 0 HA MET A 46 0.713 8.922 -4.986 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.972 9.781 -4.285 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.730 8.419 -5.087 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.715 9.140 -7.271 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.955 10.500 -6.470 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.570 12.888 -5.458 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.014 12.099 -5.107 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.507 11.504 -4.341 1.00 1.00 H new ATOM 697 N ASN A 47 2.309 6.207 -6.003 1.00 1.00 N ATOM 698 CA ASN A 47 2.295 5.174 -7.033 1.00 1.00 C ATOM 699 C ASN A 47 0.962 4.429 -7.041 1.00 1.00 C ATOM 700 O ASN A 47 0.395 4.169 -8.102 1.00 1.00 O ATOM 701 CB ASN A 47 3.442 4.184 -6.781 1.00 1.00 C ATOM 702 CG ASN A 47 4.756 4.754 -7.305 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.118 5.959 -6.956 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.471 4.084 -8.051 1.00 1.00 N flip ATOM 0 H ASN A 47 2.993 6.062 -5.260 1.00 1.00 H new ATOM 0 HA ASN A 47 2.426 5.651 -8.004 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.526 3.978 -5.714 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.227 3.235 -7.272 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.185 3.143 -8.322 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.349 4.470 -8.398 1.00 1.00 H new ATOM 711 N LEU A 48 0.474 4.082 -5.858 1.00 1.00 N ATOM 712 CA LEU A 48 -0.784 3.360 -5.749 1.00 1.00 C ATOM 713 C LEU A 48 -1.936 4.207 -6.264 1.00 1.00 C ATOM 714 O LEU A 48 -2.814 3.716 -6.970 1.00 1.00 O ATOM 715 CB LEU A 48 -1.031 2.976 -4.288 1.00 1.00 C ATOM 716 CG LEU A 48 0.007 1.942 -3.838 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.022 1.830 -2.313 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.298 0.569 -4.447 1.00 1.00 C ATOM 0 H LEU A 48 0.927 4.287 -4.967 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.723 2.457 -6.357 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.973 3.862 -3.655 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.036 2.569 -4.175 1.00 1.00 H new ATOM 0 HG LEU A 48 0.992 2.266 -4.175 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.715 1.095 -1.988 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.213 2.799 -1.872 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.014 1.516 -1.990 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.450 -0.151 -4.115 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.286 0.240 -4.125 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.276 0.640 -5.534 1.00 1.00 H new ATOM 730 N GLU A 49 -1.927 5.480 -5.913 1.00 1.00 N ATOM 731 CA GLU A 49 -2.984 6.377 -6.349 1.00 1.00 C ATOM 732 C GLU A 49 -3.060 6.427 -7.867 1.00 1.00 C ATOM 733 O GLU A 49 -4.144 6.459 -8.441 1.00 1.00 O ATOM 734 CB GLU A 49 -2.737 7.785 -5.794 1.00 1.00 C ATOM 735 CG GLU A 49 -3.114 7.830 -4.311 1.00 1.00 C ATOM 736 CD GLU A 49 -2.754 9.192 -3.725 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.181 9.991 -4.446 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.054 9.414 -2.564 1.00 1.00 O ATOM 0 H GLU A 49 -1.208 5.914 -5.334 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.933 5.999 -5.968 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.689 8.057 -5.921 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.326 8.514 -6.351 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.181 7.644 -4.192 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.591 7.042 -3.770 1.00 1.00 H new ATOM 745 N GLU A 50 -1.905 6.435 -8.501 1.00 1.00 N ATOM 746 CA GLU A 50 -1.844 6.482 -9.957 1.00 1.00 C ATOM 747 C GLU A 50 -2.224 5.133 -10.559 1.00 1.00 C ATOM 748 O GLU A 50 -2.845 5.070 -11.620 1.00 1.00 O ATOM 749 CB GLU A 50 -0.436 6.867 -10.416 1.00 1.00 C ATOM 750 CG GLU A 50 -0.447 7.166 -11.919 1.00 1.00 C ATOM 751 CD GLU A 50 -1.191 8.470 -12.184 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.513 9.150 -11.224 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.422 8.775 -13.343 1.00 1.00 O ATOM 0 H GLU A 50 -0.997 6.410 -8.038 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.555 7.233 -10.300 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.089 7.741 -9.864 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.261 6.057 -10.202 1.00 1.00 H new ATOM 0 HG2 GLU A 50 0.575 7.238 -12.292 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.926 6.348 -12.458 1.00 1.00 H new ATOM 760 N GLU A 51 -1.832 4.053 -9.886 1.00 1.00 N ATOM 761 CA GLU A 51 -2.122 2.716 -10.382 1.00 1.00 C ATOM 762 C GLU A 51 -3.620 2.441 -10.364 1.00 1.00 C ATOM 763 O GLU A 51 -4.180 1.948 -11.344 1.00 1.00 O ATOM 764 CB GLU A 51 -1.409 1.680 -9.514 1.00 1.00 C ATOM 765 CG GLU A 51 -1.507 0.301 -10.169 1.00 1.00 C ATOM 766 CD GLU A 51 -0.638 0.257 -11.420 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.089 1.211 -11.646 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.712 -0.729 -12.135 1.00 1.00 O ATOM 0 H GLU A 51 -1.318 4.079 -9.005 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.767 2.649 -11.410 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.363 1.958 -9.385 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.857 1.654 -8.521 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.187 -0.468 -9.466 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.543 0.085 -10.428 1.00 1.00 H new ATOM 775 N PHE A 52 -4.266 2.755 -9.245 1.00 1.00 N ATOM 776 CA PHE A 52 -5.704 2.530 -9.110 1.00 1.00 C ATOM 777 C PHE A 52 -6.479 3.805 -9.430 1.00 1.00 C ATOM 778 O PHE A 52 -7.710 3.809 -9.434 1.00 1.00 O ATOM 779 CB PHE A 52 -6.021 2.070 -7.686 1.00 1.00 C ATOM 780 CG PHE A 52 -5.382 0.727 -7.434 1.00 1.00 C ATOM 781 CD1 PHE A 52 -6.059 -0.446 -7.784 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.111 0.655 -6.847 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.465 -1.692 -7.549 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.518 -0.591 -6.612 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.196 -1.765 -6.962 1.00 1.00 C ATOM 0 H PHE A 52 -3.821 3.163 -8.423 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.006 1.757 -9.816 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.652 2.801 -6.966 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.100 2.003 -7.547 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.039 -0.391 -8.235 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.589 1.561 -6.576 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.986 -2.598 -7.821 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.538 -0.647 -6.161 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.740 -2.727 -6.779 1.00 1.00 H new ATOM 795 N GLY A 53 -5.752 4.884 -9.710 1.00 1.00 N ATOM 796 CA GLY A 53 -6.391 6.151 -10.044 1.00 1.00 C ATOM 797 C GLY A 53 -7.362 6.579 -8.951 1.00 1.00 C ATOM 798 O GLY A 53 -8.485 6.992 -9.237 1.00 1.00 O ATOM 0 H GLY A 53 -4.732 4.906 -9.712 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.631 6.920 -10.182 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.923 6.055 -10.991 1.00 1.00 H new ATOM 802 N ILE A 54 -6.926 6.478 -7.696 1.00 1.00 N ATOM 803 CA ILE A 54 -7.768 6.859 -6.558 1.00 1.00 C ATOM 804 C ILE A 54 -7.210 8.098 -5.872 1.00 1.00 C ATOM 805 O ILE A 54 -6.288 8.737 -6.376 1.00 1.00 O ATOM 806 CB ILE A 54 -7.839 5.704 -5.554 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.420 5.297 -5.135 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.541 4.509 -6.205 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.479 4.315 -3.961 1.00 1.00 C ATOM 0 H ILE A 54 -5.999 6.137 -7.440 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.769 7.083 -6.927 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.398 6.022 -4.674 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.901 4.839 -5.977 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.849 6.181 -4.852 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.593 3.685 -5.493 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.550 4.797 -6.501 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.981 4.193 -7.085 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.467 4.033 -3.672 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -6.979 4.788 -3.116 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.033 3.425 -4.259 1.00 1.00 H new ATOM 821 N ASN A 55 -7.777 8.432 -4.718 1.00 1.00 N ATOM 822 CA ASN A 55 -7.330 9.601 -3.968 1.00 1.00 C ATOM 823 C ASN A 55 -7.686 9.454 -2.495 1.00 1.00 C ATOM 824 O ASN A 55 -8.861 9.454 -2.128 1.00 1.00 O ATOM 825 CB ASN A 55 -7.988 10.861 -4.529 1.00 1.00 C ATOM 826 CG ASN A 55 -9.506 10.736 -4.453 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.104 11.049 -3.425 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.166 10.288 -5.486 1.00 1.00 N ATOM 0 H ASN A 55 -8.541 7.915 -4.284 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.247 9.683 -4.064 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.658 11.734 -3.966 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.679 11.013 -5.563 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.181 10.197 -5.442 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.667 10.029 -6.337 1.00 1.00 H new ATOM 835 N VAL A 56 -6.663 9.329 -1.651 1.00 1.00 N ATOM 836 CA VAL A 56 -6.876 9.182 -0.212 1.00 1.00 C ATOM 837 C VAL A 56 -5.816 9.957 0.565 1.00 1.00 C ATOM 838 O VAL A 56 -4.648 9.991 0.179 1.00 1.00 O ATOM 839 CB VAL A 56 -6.818 7.702 0.177 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.521 7.087 -0.351 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.870 7.568 1.702 1.00 1.00 C ATOM 0 H VAL A 56 -5.684 9.327 -1.936 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.859 9.583 0.035 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.670 7.179 -0.258 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.479 6.033 -0.074 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.490 7.179 -1.437 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.668 7.610 0.081 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.829 6.514 1.976 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.021 8.091 2.142 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.797 8.004 2.074 1.00 1.00 H new ATOM 851 N ASP A 57 -6.235 10.575 1.664 1.00 1.00 N ATOM 852 CA ASP A 57 -5.319 11.345 2.495 1.00 1.00 C ATOM 853 C ASP A 57 -4.491 10.418 3.381 1.00 1.00 C ATOM 854 O ASP A 57 -4.969 9.371 3.817 1.00 1.00 O ATOM 855 CB ASP A 57 -6.101 12.323 3.371 1.00 1.00 C ATOM 856 CG ASP A 57 -6.708 13.423 2.509 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.392 13.469 1.331 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.485 14.203 3.036 1.00 1.00 O ATOM 0 H ASP A 57 -7.199 10.558 1.998 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.648 11.901 1.841 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.888 11.794 3.908 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.442 12.759 4.121 1.00 1.00 H new ATOM 863 N GLU A 58 -3.250 10.810 3.643 1.00 1.00 N ATOM 864 CA GLU A 58 -2.364 10.009 4.481 1.00 1.00 C ATOM 865 C GLU A 58 -2.891 9.944 5.909 1.00 1.00 C ATOM 866 O GLU A 58 -2.731 8.936 6.598 1.00 1.00 O ATOM 867 CB GLU A 58 -0.961 10.613 4.484 1.00 1.00 C ATOM 868 CG GLU A 58 -1.016 12.036 5.036 1.00 1.00 C ATOM 869 CD GLU A 58 0.359 12.689 4.933 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.341 11.999 5.156 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.411 13.870 4.629 1.00 1.00 O ATOM 0 H GLU A 58 -2.835 11.672 3.290 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.325 8.999 4.072 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.293 10.002 5.091 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.555 10.620 3.472 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -1.749 12.622 4.481 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -1.343 12.019 6.076 1.00 1.00 H new ATOM 878 N ASP A 59 -3.517 11.027 6.346 1.00 1.00 N ATOM 879 CA ASP A 59 -4.061 11.089 7.697 1.00 1.00 C ATOM 880 C ASP A 59 -4.940 9.874 7.973 1.00 1.00 C ATOM 881 O ASP A 59 -4.884 9.288 9.055 1.00 1.00 O ATOM 882 CB ASP A 59 -4.884 12.369 7.877 1.00 1.00 C ATOM 883 CG ASP A 59 -3.959 13.579 7.939 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.758 13.378 8.015 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.464 14.690 7.912 1.00 1.00 O ATOM 0 H ASP A 59 -3.661 11.870 5.790 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.230 11.094 8.402 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.586 12.479 7.050 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.475 12.306 8.791 1.00 1.00 H new ATOM 890 N LYS A 60 -5.749 9.499 6.990 1.00 1.00 N ATOM 891 CA LYS A 60 -6.639 8.351 7.138 1.00 1.00 C ATOM 892 C LYS A 60 -5.862 7.056 6.942 1.00 1.00 C ATOM 893 O LYS A 60 -6.352 5.972 7.257 1.00 1.00 O ATOM 894 CB LYS A 60 -7.778 8.439 6.110 1.00 1.00 C ATOM 895 CG LYS A 60 -8.880 9.367 6.627 1.00 1.00 C ATOM 896 CD LYS A 60 -8.310 10.771 6.836 1.00 1.00 C ATOM 897 CE LYS A 60 -9.450 11.748 7.112 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.888 13.099 7.389 1.00 1.00 N ATOM 0 H LYS A 60 -5.808 9.969 6.087 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.062 8.359 8.143 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.394 8.811 5.160 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.186 7.446 5.921 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.705 9.400 5.916 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.283 8.983 7.564 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -7.608 10.770 7.670 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.754 11.085 5.952 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.123 11.791 6.255 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.039 11.406 7.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.664 13.766 7.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.263 13.052 8.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.344 13.425 6.564 1.00 1.00 H new ATOM 912 N ALA A 61 -4.647 7.175 6.416 1.00 1.00 N ATOM 913 CA ALA A 61 -3.813 6.003 6.178 1.00 1.00 C ATOM 914 C ALA A 61 -3.056 5.613 7.446 1.00 1.00 C ATOM 915 O ALA A 61 -2.210 4.723 7.429 1.00 1.00 O ATOM 916 CB ALA A 61 -2.815 6.285 5.057 1.00 1.00 C ATOM 0 H ALA A 61 -4.221 8.063 6.149 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.463 5.178 5.886 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.198 5.402 4.889 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.355 6.530 4.142 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.179 7.124 5.339 1.00 1.00 H new ATOM 922 N GLN A 62 -3.365 6.294 8.542 1.00 1.00 N ATOM 923 CA GLN A 62 -2.711 6.017 9.819 1.00 1.00 C ATOM 924 C GLN A 62 -3.103 4.641 10.347 1.00 1.00 C ATOM 925 O GLN A 62 -2.282 3.930 10.926 1.00 1.00 O ATOM 926 CB GLN A 62 -3.084 7.088 10.848 1.00 1.00 C ATOM 927 CG GLN A 62 -2.365 8.395 10.511 1.00 1.00 C ATOM 928 CD GLN A 62 -2.755 9.475 11.513 1.00 1.00 C ATOM 929 OE1 GLN A 62 -3.046 10.672 11.084 1.00 1.00 O flip ATOM 930 NE2 GLN A 62 -2.785 9.225 12.719 1.00 1.00 N flip ATOM 0 H GLN A 62 -4.061 7.039 8.575 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.634 6.032 9.655 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.163 7.245 10.850 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.808 6.757 11.849 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -1.286 8.242 10.530 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -2.624 8.713 9.501 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -2.557 8.288 13.051 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -3.038 9.955 13.385 1.00 1.00 H new ATOM 939 N ASP A 63 -4.361 4.274 10.145 1.00 1.00 N ATOM 940 CA ASP A 63 -4.855 2.985 10.611 1.00 1.00 C ATOM 941 C ASP A 63 -4.157 1.843 9.884 1.00 1.00 C ATOM 942 O ASP A 63 -4.343 0.672 10.215 1.00 1.00 O ATOM 943 CB ASP A 63 -6.357 2.894 10.377 1.00 1.00 C ATOM 944 CG ASP A 63 -6.688 3.228 8.927 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.776 3.583 8.198 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.850 3.130 8.570 1.00 1.00 O ATOM 0 H ASP A 63 -5.055 4.847 9.664 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.643 2.901 11.677 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.709 1.890 10.615 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.878 3.581 11.044 1.00 1.00 H new ATOM 951 N ILE A 64 -3.355 2.195 8.892 1.00 1.00 N ATOM 952 CA ILE A 64 -2.625 1.194 8.117 1.00 1.00 C ATOM 953 C ILE A 64 -1.430 0.685 8.905 1.00 1.00 C ATOM 954 O ILE A 64 -0.610 1.467 9.390 1.00 1.00 O ATOM 955 CB ILE A 64 -2.143 1.798 6.796 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.341 2.380 6.050 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.469 0.728 5.937 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.410 1.304 5.782 1.00 1.00 C ATOM 0 H ILE A 64 -3.191 3.159 8.603 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.298 0.362 7.909 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.417 2.584 7.003 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.777 3.191 6.634 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.010 2.810 5.105 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.131 1.172 5.001 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.613 0.317 6.473 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.181 -0.069 5.724 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.250 1.750 5.250 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.979 0.506 5.177 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.758 0.893 6.730 1.00 1.00 H new ATOM 970 N SER A 65 -1.336 -0.638 9.026 1.00 1.00 N ATOM 971 CA SER A 65 -0.235 -1.268 9.756 1.00 1.00 C ATOM 972 C SER A 65 0.491 -2.270 8.868 1.00 1.00 C ATOM 973 O SER A 65 1.714 -2.387 8.924 1.00 1.00 O ATOM 974 CB SER A 65 -0.773 -1.979 10.997 1.00 1.00 C ATOM 975 OG SER A 65 0.181 -2.931 11.443 1.00 1.00 O ATOM 0 H SER A 65 -2.008 -1.295 8.629 1.00 1.00 H new ATOM 0 HA SER A 65 0.468 -0.492 10.058 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.977 -1.255 11.786 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.717 -2.473 10.767 1.00 1.00 H new ATOM 0 HG SER A 65 -0.161 -3.388 12.240 1.00 1.00 H new ATOM 981 N THR A 66 -0.267 -2.997 8.045 1.00 1.00 N ATOM 982 CA THR A 66 0.318 -3.994 7.145 1.00 1.00 C ATOM 983 C THR A 66 -0.225 -3.818 5.733 1.00 1.00 C ATOM 984 O THR A 66 -1.069 -2.958 5.484 1.00 1.00 O ATOM 985 CB THR A 66 -0.007 -5.403 7.645 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.359 -5.710 7.345 1.00 1.00 O ATOM 987 CG2 THR A 66 0.207 -5.470 9.157 1.00 1.00 C ATOM 0 H THR A 66 -1.282 -2.915 7.983 1.00 1.00 H new ATOM 0 HA THR A 66 1.399 -3.855 7.129 1.00 1.00 H new ATOM 0 HB THR A 66 0.648 -6.123 7.154 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.403 -6.567 6.872 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.025 -6.474 9.513 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.246 -5.234 9.388 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.447 -4.750 9.649 1.00 1.00 H new ATOM 995 N ILE A 67 0.270 -4.633 4.810 1.00 1.00 N ATOM 996 CA ILE A 67 -0.166 -4.550 3.421 1.00 1.00 C ATOM 997 C ILE A 67 -1.663 -4.790 3.322 1.00 1.00 C ATOM 998 O ILE A 67 -2.374 -4.046 2.649 1.00 1.00 O ATOM 999 CB ILE A 67 0.574 -5.591 2.582 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.090 -5.415 2.749 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.193 -5.446 1.114 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.518 -3.985 2.376 1.00 1.00 C ATOM 0 H ILE A 67 0.968 -5.353 4.995 1.00 1.00 H new ATOM 0 HA ILE A 67 0.059 -3.552 3.044 1.00 1.00 H new ATOM 0 HB ILE A 67 0.291 -6.587 2.924 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.374 -5.627 3.780 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.616 -6.133 2.119 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.726 -6.192 0.524 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.881 -5.593 1.001 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.462 -4.449 0.765 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.596 -3.883 2.502 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.253 -3.785 1.338 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.008 -3.272 3.024 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.142 -5.825 3.994 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.564 -6.135 3.963 1.00 1.00 C ATOM 1016 C GLN A 68 -4.386 -4.909 4.361 1.00 1.00 C ATOM 1017 O GLN A 68 -5.428 -4.629 3.768 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.862 -7.304 4.928 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.924 -8.624 4.160 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.224 -8.697 3.375 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.906 -7.606 3.172 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -5.631 -9.772 2.941 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.577 -6.457 4.560 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.840 -6.424 2.949 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.089 -7.358 5.695 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.808 -7.129 5.441 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.074 -8.703 3.483 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.858 -9.463 4.853 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.093 -10.624 3.103 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -6.506 -9.813 2.419 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.918 -4.190 5.371 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.629 -3.012 5.840 1.00 1.00 C ATOM 1033 C GLN A 69 -4.765 -1.993 4.716 1.00 1.00 C ATOM 1034 O GLN A 69 -5.832 -1.411 4.516 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.875 -2.383 7.010 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.689 -3.417 8.119 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.042 -3.842 8.668 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.878 -3.000 8.992 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.302 -5.109 8.796 1.00 1.00 N ATOM 0 H GLN A 69 -3.057 -4.400 5.877 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.624 -3.313 6.168 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.905 -2.017 6.675 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.426 -1.523 7.390 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.156 -4.285 7.732 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.078 -2.998 8.919 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.605 -5.803 8.526 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.203 -5.410 9.167 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.678 -1.785 3.980 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.687 -0.837 2.872 1.00 1.00 C ATOM 1050 C ALA A 70 -4.648 -1.299 1.782 1.00 1.00 C ATOM 1051 O ALA A 70 -5.344 -0.491 1.171 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.280 -0.700 2.287 1.00 1.00 C ATOM 0 H ALA A 70 -2.786 -2.256 4.129 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.018 0.130 3.250 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.297 0.010 1.460 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.598 -0.342 3.059 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.940 -1.670 1.925 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.680 -2.606 1.544 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.560 -3.165 0.522 1.00 1.00 C ATOM 1060 C ALA A 71 -7.026 -2.971 0.904 1.00 1.00 C ATOM 1061 O ALA A 71 -7.874 -2.727 0.046 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.267 -4.659 0.335 1.00 1.00 C ATOM 0 H ALA A 71 -4.112 -3.294 2.040 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.372 -2.640 -0.415 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.929 -5.067 -0.429 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.230 -4.790 0.025 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.434 -5.183 1.276 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.316 -3.088 2.194 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.682 -2.932 2.679 1.00 1.00 C ATOM 1070 C ASP A 72 -9.201 -1.528 2.384 1.00 1.00 C ATOM 1071 O ASP A 72 -10.363 -1.347 2.020 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.732 -3.189 4.185 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.160 -3.029 4.697 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.010 -2.630 3.917 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.384 -3.306 5.865 1.00 1.00 O ATOM 0 H ASP A 72 -6.628 -3.289 2.920 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.314 -3.655 2.164 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.370 -4.194 4.403 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.072 -2.493 4.703 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.337 -0.538 2.552 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.722 0.843 2.295 1.00 1.00 C ATOM 1082 C VAL A 73 -8.792 1.118 0.795 1.00 1.00 C ATOM 1083 O VAL A 73 -9.743 1.727 0.307 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.720 1.792 2.942 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.123 3.239 2.651 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.710 1.562 4.454 1.00 1.00 C ATOM 0 H VAL A 73 -7.373 -0.662 2.862 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.710 1.007 2.725 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.726 1.604 2.536 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.406 3.917 3.114 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.134 3.404 1.574 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.116 3.429 3.058 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -6.994 2.239 4.920 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.705 1.751 4.857 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.424 0.531 4.663 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.766 0.676 0.071 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.716 0.894 -1.370 1.00 1.00 C ATOM 1098 C ILE A 74 -8.869 0.191 -2.077 1.00 1.00 C ATOM 1099 O ILE A 74 -9.607 0.814 -2.832 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.387 0.373 -1.930 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.237 1.221 -1.378 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.398 0.464 -3.461 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.901 0.547 -1.698 1.00 1.00 C ATOM 0 H ILE A 74 -6.967 0.171 0.454 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.802 1.966 -1.549 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.253 -0.667 -1.632 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.266 2.219 -1.815 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.346 1.342 -0.300 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.452 0.093 -3.854 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.216 -0.138 -3.855 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.534 1.503 -3.763 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.085 1.152 -1.304 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.873 -0.442 -1.240 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.792 0.450 -2.778 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.014 -1.105 -1.820 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.073 -1.886 -2.448 1.00 1.00 C ATOM 1117 C GLU A 75 -11.439 -1.279 -2.150 1.00 1.00 C ATOM 1118 O GLU A 75 -12.353 -1.351 -2.969 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.018 -3.329 -1.930 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.523 -3.386 -0.475 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.048 -3.496 -0.430 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.657 -3.499 -1.487 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.582 -3.567 0.664 1.00 1.00 O ATOM 0 H GLU A 75 -8.416 -1.634 -1.185 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.923 -1.879 -3.528 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.629 -3.974 -2.561 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.996 -3.705 -1.984 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.078 -4.240 0.035 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.203 -2.492 0.060 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.569 -0.687 -0.971 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.826 -0.073 -0.574 1.00 1.00 C ATOM 1132 C GLY A 76 -13.168 1.111 -1.473 1.00 1.00 C ATOM 1133 O GLY A 76 -14.338 1.363 -1.760 1.00 1.00 O ATOM 0 H GLY A 76 -10.824 -0.619 -0.277 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.626 -0.812 -0.621 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.760 0.260 0.462 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.142 1.837 -1.906 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.353 2.998 -2.763 1.00 1.00 C ATOM 1139 C LEU A 77 -12.916 2.582 -4.112 1.00 1.00 C ATOM 1140 O LEU A 77 -13.821 3.223 -4.643 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.031 3.742 -2.957 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.612 4.403 -1.631 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.165 4.890 -1.745 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.535 5.598 -1.300 1.00 1.00 C ATOM 0 H LEU A 77 -11.166 1.645 -1.680 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.075 3.657 -2.281 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.258 3.050 -3.290 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.138 4.498 -3.734 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.696 3.668 -0.830 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -8.864 5.359 -0.808 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.511 4.043 -1.953 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.088 5.615 -2.555 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.221 6.050 -0.359 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.472 6.338 -2.098 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.564 5.249 -1.209 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.376 1.507 -4.658 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.828 1.014 -5.947 1.00 1.00 C ATOM 1158 C LEU A 78 -14.287 0.587 -5.879 1.00 1.00 C ATOM 1159 O LEU A 78 -15.058 0.814 -6.809 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.966 -0.171 -6.378 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.539 0.316 -6.786 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.479 -0.387 -5.937 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.285 0.009 -8.269 1.00 1.00 C ATOM 0 H LEU A 78 -11.628 0.961 -4.232 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.735 1.818 -6.677 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.893 -0.891 -5.563 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.436 -0.685 -7.217 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.478 1.392 -6.621 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.488 -0.039 -6.231 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -9.646 -0.159 -4.884 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.546 -1.464 -6.090 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.288 0.352 -8.546 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.359 -1.066 -8.436 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.028 0.523 -8.879 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.657 -0.039 -4.776 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.024 -0.492 -4.603 1.00 1.00 C ATOM 1177 C GLU A 79 -16.975 0.699 -4.576 1.00 1.00 C ATOM 1178 O GLU A 79 -18.111 0.611 -5.039 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.149 -1.278 -3.302 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.383 -2.598 -3.425 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.425 -3.353 -2.101 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.040 -2.851 -1.174 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -14.842 -4.423 -2.033 1.00 1.00 O ATOM 0 H GLU A 79 -14.036 -0.244 -3.993 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.288 -1.137 -5.441 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.754 -0.692 -2.472 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.199 -1.474 -3.083 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.820 -3.209 -4.215 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.349 -2.402 -3.708 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.502 1.815 -4.026 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.321 3.019 -3.941 1.00 1.00 C ATOM 1192 C LYS A 80 -17.591 3.589 -5.328 1.00 1.00 C ATOM 1193 O LYS A 80 -18.686 3.441 -5.870 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.616 4.073 -3.087 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.536 5.284 -2.903 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.851 6.312 -2.001 1.00 1.00 C ATOM 1197 CE LYS A 80 -17.776 7.514 -1.805 1.00 1.00 C ATOM 1198 NZ LYS A 80 -17.131 8.492 -0.885 1.00 1.00 N ATOM 0 H LYS A 80 -15.564 1.910 -3.636 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.272 2.751 -3.480 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.353 3.653 -2.116 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.685 4.380 -3.565 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.766 5.730 -3.871 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.483 4.971 -2.463 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.611 5.863 -1.037 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.909 6.633 -2.447 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -17.986 7.985 -2.765 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -18.732 7.188 -1.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -17.760 9.310 -0.751 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -16.952 8.039 0.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -16.230 8.811 -1.294 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.585 4.247 -5.900 1.00 1.00 N ATOM 1213 CA LYS A 81 -16.731 4.841 -7.225 1.00 1.00 C ATOM 1214 C LYS A 81 -18.072 5.563 -7.349 1.00 1.00 C ATOM 1215 O LYS A 81 -18.773 5.764 -6.358 1.00 1.00 O ATOM 1216 CB LYS A 81 -16.622 3.756 -8.304 1.00 1.00 C ATOM 1217 CG LYS A 81 -15.157 3.359 -8.492 1.00 1.00 C ATOM 1218 CD LYS A 81 -15.062 2.268 -9.561 1.00 1.00 C ATOM 1219 CE LYS A 81 -13.597 1.897 -9.784 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.816 3.131 -10.079 1.00 1.00 N ATOM 0 H LYS A 81 -15.669 4.381 -5.471 1.00 1.00 H new ATOM 0 HA LYS A 81 -15.931 5.568 -7.365 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -17.211 2.885 -8.017 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -17.033 4.123 -9.245 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.568 4.227 -8.789 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.742 2.999 -7.551 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -15.627 1.389 -9.250 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -15.505 2.618 -10.493 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -13.197 1.402 -8.899 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -13.510 1.192 -10.610 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.943 2.877 -10.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -13.385 3.769 -10.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -12.574 3.610 -9.188 1.00 1.00 H new ATOM 1234 N ALA A 82 -18.413 5.953 -8.571 1.00 1.00 N ATOM 1235 CA ALA A 82 -19.667 6.653 -8.815 1.00 1.00 C ATOM 1236 C ALA A 82 -19.846 7.791 -7.816 1.00 1.00 C ATOM 1237 O ALA A 82 -20.947 7.940 -7.310 1.00 1.00 O ATOM 1238 CB ALA A 82 -20.837 5.677 -8.697 1.00 1.00 C ATOM 1239 OXT ALA A 82 -18.883 8.497 -7.573 1.00 1.00 O ATOM 0 H ALA A 82 -17.843 5.798 -9.403 1.00 1.00 H new ATOM 0 HA ALA A 82 -19.642 7.070 -9.822 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -21.772 6.206 -8.880 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -20.721 4.880 -9.431 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -20.853 5.248 -7.695 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.218 10.471 7.273 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.713 11.404 8.487 1.00 1.00 P HETATM 1248 O25 PNS A 101 8.261 12.788 8.224 1.00 1.00 O HETATM 1249 O26 PNS A 101 10.150 11.130 8.725 1.00 1.00 O HETATM 1250 O27 PNS A 101 7.878 10.830 9.736 1.00 1.00 O HETATM 1251 C28 PNS A 101 8.445 9.839 10.583 1.00 1.00 C HETATM 1252 C29 PNS A 101 7.429 9.458 11.666 1.00 1.00 C HETATM 1253 C30 PNS A 101 6.198 8.825 11.023 1.00 1.00 C HETATM 1254 C31 PNS A 101 7.023 10.722 12.438 1.00 1.00 C HETATM 1255 C32 PNS A 101 8.045 8.441 12.618 1.00 1.00 C HETATM 1256 O33 PNS A 101 9.253 8.982 13.120 1.00 1.00 O HETATM 1257 C34 PNS A 101 7.095 8.153 13.776 1.00 1.00 C HETATM 1258 O35 PNS A 101 7.030 8.913 14.743 1.00 1.00 O HETATM 1259 N36 PNS A 101 6.360 7.052 13.671 1.00 1.00 N HETATM 1260 C37 PNS A 101 5.415 6.674 14.713 1.00 1.00 C HETATM 1261 C38 PNS A 101 4.407 5.659 14.169 1.00 1.00 C HETATM 1262 C39 PNS A 101 3.351 6.371 13.328 1.00 1.00 C HETATM 1263 O40 PNS A 101 2.228 6.591 13.781 1.00 1.00 O HETATM 1264 N41 PNS A 101 3.720 6.729 12.102 1.00 1.00 N HETATM 1265 C42 PNS A 101 2.795 7.417 11.209 1.00 1.00 C HETATM 1266 C43 PNS A 101 1.745 6.438 10.676 1.00 1.00 C HETATM 1267 S44 PNS A 101 2.392 5.598 9.234 1.00 1.00 S HETATM 0 H432 PNS A 101 1.484 5.712 11.446 1.00 1.00 H new HETATM 0 H431 PNS A 101 0.831 6.973 10.419 1.00 1.00 H new HETATM 0 H422 PNS A 101 3.343 7.861 10.378 1.00 1.00 H new HETATM 0 H421 PNS A 101 2.305 8.233 11.740 1.00 1.00 H new HETATM 0 H382 PNS A 101 3.930 5.130 14.994 1.00 1.00 H new HETATM 0 H381 PNS A 101 4.921 4.911 13.565 1.00 1.00 H new HETATM 0 H372 PNS A 101 4.892 7.558 15.078 1.00 1.00 H new HETATM 0 H371 PNS A 101 5.950 6.248 15.562 1.00 1.00 H new HETATM 0 H313 PNS A 101 6.300 10.460 13.211 1.00 1.00 H new HETATM 0 H312 PNS A 101 6.575 11.440 11.751 1.00 1.00 H new HETATM 0 H311 PNS A 101 7.905 11.164 12.901 1.00 1.00 H new HETATM 0 H303 PNS A 101 5.480 8.557 11.798 1.00 1.00 H new HETATM 0 H302 PNS A 101 6.493 7.930 10.476 1.00 1.00 H new HETATM 0 H301 PNS A 101 5.741 9.536 10.335 1.00 1.00 H new HETATM 0 H282 PNS A 101 9.359 10.216 11.042 1.00 1.00 H new HETATM 0 H281 PNS A 101 8.720 8.960 10.000 1.00 1.00 H new HETATM 0 H41 PNS A 101 4.665 6.519 11.781 1.00 1.00 H new HETATM 0 H36 PNS A 101 6.459 6.460 12.846 1.00 1.00 H new HETATM 0 H33 PNS A 101 9.115 9.295 14.038 1.00 1.00 H new HETATM 0 H32 PNS A 101 8.234 7.507 12.088 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.082 3.889 9.143 1.00 1.00 C HETATM 1289 O1 DKA A 102 1.469 3.278 9.989 1.00 1.00 O HETATM 1290 C2 DKA A 102 2.665 3.286 7.900 1.00 1.00 C HETATM 1291 C3 DKA A 102 1.808 3.667 6.694 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.503 3.214 5.402 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.824 3.857 4.187 1.00 1.00 C HETATM 1294 C6 DKA A 102 0.486 3.171 3.915 1.00 1.00 C HETATM 1295 C7 DKA A 102 -0.101 3.708 2.613 1.00 1.00 C HETATM 1296 C8 DKA A 102 -1.485 3.099 2.390 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.923 3.336 0.944 1.00 1.00 C HETATM 1298 C10 DKA A 102 -3.415 3.025 0.806 1.00 1.00 C HETATM 0 H103 DKA A 102 -3.596 1.984 1.075 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.985 3.675 1.469 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.728 3.194 -0.224 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.728 4.370 0.658 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.345 2.704 0.269 1.00 1.00 H new HETATM 0 H82 DKA A 102 -1.462 2.030 2.603 1.00 1.00 H new HETATM 0 H81 DKA A 102 -2.205 3.545 3.076 1.00 1.00 H new HETATM 0 H72 DKA A 102 -0.172 4.795 2.655 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.555 3.463 1.777 1.00 1.00 H new HETATM 0 H62 DKA A 102 0.625 2.092 3.847 1.00 1.00 H new HETATM 0 H61 DKA A 102 -0.203 3.352 4.740 1.00 1.00 H new HETATM 0 H52 DKA A 102 1.667 4.920 4.368 1.00 1.00 H new HETATM 0 H51 DKA A 102 2.469 3.774 3.313 1.00 1.00 H new HETATM 0 H42 DKA A 102 3.557 3.492 5.429 1.00 1.00 H new HETATM 0 H41 DKA A 102 2.462 2.128 5.319 1.00 1.00 H new HETATM 0 H32 DKA A 102 0.825 3.202 6.772 1.00 1.00 H new HETATM 0 H31 DKA A 102 1.649 4.745 6.674 1.00 1.00 H new HETATM 0 H22 DKA A 102 3.687 3.638 7.758 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.712 2.201 7.997 1.00 1.00 H new