USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 LYS NZ :NH3+ -168:sc= 0.835 (180deg=0) USER MOD Set 1.2: B 16 TYR OH : rot -105:sc= -3.26! USER MOD Set 2.1: A 12 LYS NZ :NH3+ 157:sc= -2.95 (180deg=-1.96!) USER MOD Set 2.2: B 7 LYS NZ :NH3+ -148:sc= -5.8! (180deg=-3.32!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.265 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0014 (180deg=-0.191) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= -0.226 (180deg=-0.233) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 10 MET CE :methyl 171:sc= -1.49! (180deg=-1.9!) USER MOD Single : A 15 ASN : amide:sc=0.000224 X(o=0.00022,f=-0.072) USER MOD Single : A 16 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.112 F(o=-0.65,f=-0.11) USER MOD Single : A 20 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.3!) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -2.77! (180deg=-3.07!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 160:sc= -3.28 (180deg=-4.74!) USER MOD Single : B 1 MET N :NH3+ -172:sc= -0.0485 (180deg=-0.113) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN :FLIP amide:sc= -0.0457 F(o=-0.98,f=-0.046) USER MOD Single : B 17 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 170:sc= -5.58! (180deg=-5.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.686 -10.871 17.051 1.00 0.00 N ATOM 2 CA MET A 1 9.230 -10.811 15.705 1.00 0.00 C ATOM 3 C MET A 1 8.552 -11.875 14.838 1.00 0.00 C ATOM 4 O MET A 1 8.271 -11.588 13.665 1.00 0.00 O ATOM 5 CB MET A 1 10.740 -11.059 15.729 1.00 0.00 C ATOM 6 CG MET A 1 11.444 -10.261 14.631 1.00 0.00 C ATOM 7 SD MET A 1 12.939 -11.138 14.086 1.00 0.00 S ATOM 8 CE MET A 1 12.181 -12.521 13.184 1.00 0.00 C ATOM 0 H1 MET A 1 8.973 -10.023 17.580 1.00 0.00 H new ATOM 0 H2 MET A 1 7.648 -10.915 17.004 1.00 0.00 H new ATOM 0 H3 MET A 1 9.047 -11.719 17.534 1.00 0.00 H new ATOM 0 HA MET A 1 9.043 -9.820 15.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.143 -10.779 16.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.940 -12.122 15.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.770 -10.115 13.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.708 -9.271 15.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.916 -12.963 12.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.839 -13.275 13.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.332 -12.156 12.605 1.00 0.00 H new ATOM 18 N ASP A 2 8.306 -13.061 15.423 1.00 0.00 N ATOM 19 CA ASP A 2 7.668 -14.153 14.709 1.00 0.00 C ATOM 20 C ASP A 2 6.410 -13.634 14.010 1.00 0.00 C ATOM 21 O ASP A 2 6.107 -14.113 12.908 1.00 0.00 O ATOM 22 CB ASP A 2 7.250 -15.269 15.669 1.00 0.00 C ATOM 23 CG ASP A 2 8.170 -15.462 16.875 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.183 -16.234 16.672 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.932 -14.902 17.956 1.00 0.00 O ATOM 0 H ASP A 2 8.545 -13.276 16.391 1.00 0.00 H new ATOM 0 HA ASP A 2 8.383 -14.547 13.987 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.243 -15.060 16.029 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.202 -16.206 15.114 1.00 0.00 H new ATOM 30 N ALA A 3 5.713 -12.682 14.655 1.00 0.00 N ATOM 31 CA ALA A 3 4.499 -12.105 14.100 1.00 0.00 C ATOM 32 C ALA A 3 4.860 -10.867 13.277 1.00 0.00 C ATOM 33 O ALA A 3 4.012 -10.413 12.493 1.00 0.00 O ATOM 34 CB ALA A 3 3.595 -11.619 15.234 1.00 0.00 C ATOM 0 H ALA A 3 5.980 -12.302 15.563 1.00 0.00 H new ATOM 0 HA ALA A 3 4.002 -12.862 13.494 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.686 -11.187 14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.334 -12.460 15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.119 -10.863 15.819 1.00 0.00 H new ATOM 40 N ILE A 4 6.088 -10.354 13.465 1.00 0.00 N ATOM 41 CA ILE A 4 6.552 -9.180 12.746 1.00 0.00 C ATOM 42 C ILE A 4 6.975 -9.588 11.334 1.00 0.00 C ATOM 43 O ILE A 4 6.606 -8.886 10.381 1.00 0.00 O ATOM 44 CB ILE A 4 7.651 -8.467 13.535 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.143 -8.033 14.912 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.224 -7.293 12.739 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.572 -6.598 15.227 1.00 0.00 C ATOM 0 H ILE A 4 6.771 -10.744 14.114 1.00 0.00 H new ATOM 0 HA ILE A 4 5.746 -8.454 12.641 1.00 0.00 H new ATOM 0 HB ILE A 4 8.466 -9.172 13.700 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.056 -8.106 14.942 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.530 -8.708 15.676 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.003 -6.803 13.323 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.647 -7.660 11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.430 -6.578 12.522 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.198 -6.314 16.211 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.660 -6.534 15.220 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.164 -5.923 14.475 1.00 0.00 H new ATOM 59 N LYS A 5 7.730 -10.696 11.227 1.00 0.00 N ATOM 60 CA LYS A 5 8.197 -11.190 9.943 1.00 0.00 C ATOM 61 C LYS A 5 7.005 -11.350 8.998 1.00 0.00 C ATOM 62 O LYS A 5 7.166 -11.096 7.795 1.00 0.00 O ATOM 63 CB LYS A 5 9.013 -12.470 10.125 1.00 0.00 C ATOM 64 CG LYS A 5 8.616 -13.194 11.413 1.00 0.00 C ATOM 65 CD LYS A 5 8.752 -14.710 11.255 1.00 0.00 C ATOM 66 CE LYS A 5 10.142 -15.185 11.682 1.00 0.00 C ATOM 67 NZ LYS A 5 10.497 -16.433 10.987 1.00 0.00 N ATOM 0 H LYS A 5 8.024 -11.260 12.024 1.00 0.00 H new ATOM 0 HA LYS A 5 8.875 -10.471 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.858 -13.129 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.075 -12.228 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.245 -12.853 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.588 -12.943 11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.993 -15.211 11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.572 -14.988 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.880 -14.415 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.163 -15.344 12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.443 -16.741 11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.802 -17.170 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.497 -16.270 9.960 1.00 0.00 H new ATOM 81 N LYS A 6 5.849 -11.761 9.550 1.00 0.00 N ATOM 82 CA LYS A 6 4.643 -11.952 8.763 1.00 0.00 C ATOM 83 C LYS A 6 3.889 -10.625 8.662 1.00 0.00 C ATOM 84 O LYS A 6 3.243 -10.391 7.630 1.00 0.00 O ATOM 85 CB LYS A 6 3.803 -13.095 9.337 1.00 0.00 C ATOM 86 CG LYS A 6 4.695 -14.177 9.947 1.00 0.00 C ATOM 87 CD LYS A 6 3.885 -15.431 10.284 1.00 0.00 C ATOM 88 CE LYS A 6 4.232 -16.579 9.333 1.00 0.00 C ATOM 89 NZ LYS A 6 5.450 -17.272 9.786 1.00 0.00 N ATOM 0 H LYS A 6 5.737 -11.965 10.543 1.00 0.00 H new ATOM 0 HA LYS A 6 4.896 -12.253 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.125 -12.707 10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.186 -13.528 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.493 -14.432 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.171 -13.794 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.085 -15.732 11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.820 -15.209 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.402 -17.284 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.380 -16.192 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.672 -18.048 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.244 -16.600 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.296 -17.658 10.739 1.00 0.00 H new ATOM 103 N LYS A 7 3.985 -9.796 9.717 1.00 0.00 N ATOM 104 CA LYS A 7 3.316 -8.507 9.747 1.00 0.00 C ATOM 105 C LYS A 7 3.651 -7.733 8.469 1.00 0.00 C ATOM 106 O LYS A 7 2.732 -7.153 7.874 1.00 0.00 O ATOM 107 CB LYS A 7 3.663 -7.752 11.032 1.00 0.00 C ATOM 108 CG LYS A 7 2.978 -6.384 11.067 1.00 0.00 C ATOM 109 CD LYS A 7 1.495 -6.505 10.713 1.00 0.00 C ATOM 110 CE LYS A 7 0.740 -5.221 11.065 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.287 -4.933 10.052 1.00 0.00 N ATOM 0 H LYS A 7 4.524 -10.008 10.557 1.00 0.00 H new ATOM 0 HA LYS A 7 2.234 -8.640 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.355 -8.339 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.743 -7.624 11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.084 -5.945 12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.469 -5.709 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.388 -6.714 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.057 -7.347 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.274 -5.323 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.439 -4.387 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.767 -4.041 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.161 -4.848 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.983 -5.706 10.034 1.00 0.00 H new ATOM 125 N MET A 8 4.939 -7.742 8.081 1.00 0.00 N ATOM 126 CA MET A 8 5.387 -7.047 6.887 1.00 0.00 C ATOM 127 C MET A 8 4.962 -7.840 5.650 1.00 0.00 C ATOM 128 O MET A 8 4.874 -7.243 4.567 1.00 0.00 O ATOM 129 CB MET A 8 6.910 -6.894 6.899 1.00 0.00 C ATOM 130 CG MET A 8 7.595 -8.258 7.010 1.00 0.00 C ATOM 131 SD MET A 8 9.400 -8.049 6.990 1.00 0.00 S ATOM 132 CE MET A 8 9.889 -9.611 6.201 1.00 0.00 C ATOM 0 H MET A 8 5.680 -8.227 8.586 1.00 0.00 H new ATOM 0 HA MET A 8 4.935 -6.055 6.864 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.236 -6.392 5.988 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.210 -6.263 7.736 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.288 -8.755 7.930 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.285 -8.898 6.184 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.975 -9.648 6.110 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.547 -10.448 6.809 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.439 -9.674 5.210 1.00 0.00 H new ATOM 142 N GLN A 9 4.712 -9.150 5.832 1.00 0.00 N ATOM 143 CA GLN A 9 4.302 -10.014 4.738 1.00 0.00 C ATOM 144 C GLN A 9 2.852 -9.701 4.363 1.00 0.00 C ATOM 145 O GLN A 9 2.499 -9.864 3.186 1.00 0.00 O ATOM 146 CB GLN A 9 4.469 -11.492 5.096 1.00 0.00 C ATOM 147 CG GLN A 9 5.925 -11.933 4.936 1.00 0.00 C ATOM 148 CD GLN A 9 6.014 -13.432 4.640 1.00 0.00 C ATOM 149 OE1 GLN A 9 5.460 -13.934 3.676 1.00 0.00 O ATOM 150 NE2 GLN A 9 6.742 -14.115 5.519 1.00 0.00 N ATOM 0 H GLN A 9 4.790 -9.623 6.732 1.00 0.00 H new ATOM 0 HA GLN A 9 4.946 -9.821 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.145 -11.660 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.829 -12.100 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.392 -11.371 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.480 -11.705 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.179 -13.632 6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.864 -15.122 5.408 1.00 0.00 H new ATOM 159 N MET A 10 2.054 -9.267 5.355 1.00 0.00 N ATOM 160 CA MET A 10 0.657 -8.936 5.131 1.00 0.00 C ATOM 161 C MET A 10 0.562 -7.549 4.494 1.00 0.00 C ATOM 162 O MET A 10 -0.309 -7.353 3.635 1.00 0.00 O ATOM 163 CB MET A 10 -0.111 -8.944 6.454 1.00 0.00 C ATOM 164 CG MET A 10 0.710 -9.608 7.561 1.00 0.00 C ATOM 165 SD MET A 10 -0.284 -9.744 9.076 1.00 0.00 S ATOM 166 CE MET A 10 -1.954 -9.688 8.364 1.00 0.00 C ATOM 0 H MET A 10 2.365 -9.141 6.318 1.00 0.00 H new ATOM 0 HA MET A 10 0.218 -9.680 4.466 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.357 -7.922 6.742 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.054 -9.475 6.328 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.036 -10.597 7.240 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.610 -9.025 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.687 -9.920 9.137 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.147 -8.691 7.968 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.031 -10.420 7.560 1.00 0.00 H new ATOM 176 N LEU A 11 1.445 -6.628 4.921 1.00 0.00 N ATOM 177 CA LEU A 11 1.460 -5.273 4.396 1.00 0.00 C ATOM 178 C LEU A 11 2.139 -5.270 3.024 1.00 0.00 C ATOM 179 O LEU A 11 1.828 -4.383 2.215 1.00 0.00 O ATOM 180 CB LEU A 11 2.103 -4.315 5.401 1.00 0.00 C ATOM 181 CG LEU A 11 1.428 -4.231 6.772 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.403 -3.713 7.831 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.154 -3.387 6.704 1.00 0.00 C ATOM 0 H LEU A 11 2.155 -6.810 5.631 1.00 0.00 H new ATOM 0 HA LEU A 11 0.442 -4.910 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.141 -4.615 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.118 -3.317 4.963 1.00 0.00 H new ATOM 0 HG LEU A 11 1.132 -5.237 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.899 -3.663 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.256 -4.388 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.750 -2.718 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.306 -3.343 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.403 -2.378 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.544 -3.837 5.998 1.00 0.00 H new ATOM 195 N LYS A 12 3.035 -6.246 2.793 1.00 0.00 N ATOM 196 CA LYS A 12 3.748 -6.353 1.533 1.00 0.00 C ATOM 197 C LYS A 12 2.800 -6.893 0.459 1.00 0.00 C ATOM 198 O LYS A 12 2.919 -6.472 -0.700 1.00 0.00 O ATOM 199 CB LYS A 12 5.020 -7.186 1.705 1.00 0.00 C ATOM 200 CG LYS A 12 6.198 -6.307 2.127 1.00 0.00 C ATOM 201 CD LYS A 12 7.526 -6.911 1.664 1.00 0.00 C ATOM 202 CE LYS A 12 8.146 -7.778 2.762 1.00 0.00 C ATOM 203 NZ LYS A 12 8.466 -6.962 3.944 1.00 0.00 N ATOM 0 H LYS A 12 3.275 -6.968 3.472 1.00 0.00 H new ATOM 0 HA LYS A 12 4.081 -5.370 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.853 -7.961 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.257 -7.693 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.081 -5.309 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.203 -6.196 3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.364 -7.512 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.217 -6.113 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.455 -8.574 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.051 -8.257 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.510 -7.572 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.386 -6.496 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.729 -6.240 4.077 1.00 0.00 H new ATOM 217 N LEU A 13 1.893 -7.801 0.860 1.00 0.00 N ATOM 218 CA LEU A 13 0.934 -8.391 -0.060 1.00 0.00 C ATOM 219 C LEU A 13 -0.124 -7.348 -0.425 1.00 0.00 C ATOM 220 O LEU A 13 -0.514 -7.290 -1.600 1.00 0.00 O ATOM 221 CB LEU A 13 0.353 -9.680 0.525 1.00 0.00 C ATOM 222 CG LEU A 13 -0.200 -10.686 -0.487 1.00 0.00 C ATOM 223 CD1 LEU A 13 -1.246 -11.595 0.161 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.747 -9.973 -1.725 1.00 0.00 C ATOM 0 H LEU A 13 1.813 -8.136 1.820 1.00 0.00 H new ATOM 0 HA LEU A 13 1.426 -8.684 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.130 -10.173 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.446 -9.414 1.217 1.00 0.00 H new ATOM 0 HG LEU A 13 0.619 -11.324 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.623 -12.301 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.791 -12.143 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.070 -10.990 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.134 -10.710 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.549 -9.297 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.052 -9.403 -2.200 1.00 0.00 H new ATOM 236 N ASP A 14 -0.562 -6.560 0.573 1.00 0.00 N ATOM 237 CA ASP A 14 -1.565 -5.531 0.359 1.00 0.00 C ATOM 238 C ASP A 14 -0.961 -4.402 -0.478 1.00 0.00 C ATOM 239 O ASP A 14 -1.705 -3.774 -1.246 1.00 0.00 O ATOM 240 CB ASP A 14 -2.035 -4.936 1.686 1.00 0.00 C ATOM 241 CG ASP A 14 -3.540 -4.675 1.782 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.285 -5.717 1.627 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.979 -3.534 1.994 1.00 0.00 O ATOM 0 H ASP A 14 -0.229 -6.626 1.535 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.413 -5.988 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.747 -5.611 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.507 -3.997 1.853 1.00 0.00 H new ATOM 248 N ASN A 15 0.354 -4.171 -0.317 1.00 0.00 N ATOM 249 CA ASN A 15 1.048 -3.128 -1.054 1.00 0.00 C ATOM 250 C ASN A 15 1.013 -3.454 -2.548 1.00 0.00 C ATOM 251 O ASN A 15 0.658 -2.565 -3.337 1.00 0.00 O ATOM 252 CB ASN A 15 2.514 -3.033 -0.625 1.00 0.00 C ATOM 253 CG ASN A 15 3.090 -1.652 -0.942 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.585 -1.392 -2.026 1.00 0.00 O ATOM 255 ND2 ASN A 15 2.999 -0.784 0.061 1.00 0.00 N ATOM 0 H ASN A 15 0.949 -4.700 0.321 1.00 0.00 H new ATOM 0 HA ASN A 15 0.549 -2.181 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.597 -3.229 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.096 -3.800 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.356 0.165 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.572 -1.067 0.943 1.00 0.00 H new ATOM 262 N TYR A 16 1.374 -4.700 -2.901 1.00 0.00 N ATOM 263 CA TYR A 16 1.366 -5.072 -4.306 1.00 0.00 C ATOM 264 C TYR A 16 -0.058 -4.957 -4.851 1.00 0.00 C ATOM 265 O TYR A 16 -0.205 -4.581 -6.024 1.00 0.00 O ATOM 266 CB TYR A 16 1.934 -6.492 -4.481 1.00 0.00 C ATOM 267 CG TYR A 16 3.170 -6.786 -3.642 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.119 -5.767 -3.400 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.374 -8.073 -3.094 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.265 -6.034 -2.621 1.00 0.00 C ATOM 271 CE2 TYR A 16 4.519 -8.340 -2.315 1.00 0.00 C ATOM 272 CZ TYR A 16 5.467 -7.320 -2.077 1.00 0.00 C ATOM 273 OH TYR A 16 6.578 -7.575 -1.325 1.00 0.00 O ATOM 0 H TYR A 16 1.663 -5.434 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 16 2.004 -4.395 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.158 -7.214 -4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.179 -6.644 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.967 -4.781 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.650 -8.855 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.989 -5.253 -2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.671 -9.325 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 16 6.563 -8.508 -1.026 1.00 0.00 H new ATOM 283 N HIS A 17 -1.060 -5.281 -4.014 1.00 0.00 N ATOM 284 CA HIS A 17 -2.454 -5.222 -4.422 1.00 0.00 C ATOM 285 C HIS A 17 -2.884 -3.758 -4.536 1.00 0.00 C ATOM 286 O HIS A 17 -3.700 -3.451 -5.417 1.00 0.00 O ATOM 287 CB HIS A 17 -3.338 -6.028 -3.468 1.00 0.00 C ATOM 288 CG HIS A 17 -4.540 -5.269 -2.957 1.00 0.00 C ATOM 289 ND1 HIS A 17 -4.731 -4.581 -1.795 1.00 0.00 N flip ATOM 290 CD2 HIS A 17 -5.721 -5.165 -3.672 1.00 0.00 C flip ATOM 291 CE1 HIS A 17 -5.961 -4.083 -1.801 1.00 0.00 C flip ATOM 292 NE2 HIS A 17 -6.576 -4.443 -2.964 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.918 -5.586 -3.051 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.572 -5.682 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.680 -6.928 -3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.737 -6.352 -2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.912 -5.599 -4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.403 -3.490 -1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.527 -4.199 -3.240 1.00 0.00 H new ATOM 300 N LEU A 18 -2.338 -2.899 -3.657 1.00 0.00 N ATOM 301 CA LEU A 18 -2.664 -1.483 -3.660 1.00 0.00 C ATOM 302 C LEU A 18 -1.925 -0.797 -4.810 1.00 0.00 C ATOM 303 O LEU A 18 -2.549 0.009 -5.515 1.00 0.00 O ATOM 304 CB LEU A 18 -2.378 -0.865 -2.290 1.00 0.00 C ATOM 305 CG LEU A 18 -3.330 -1.266 -1.162 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.696 -1.013 0.207 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.680 -0.562 -1.307 1.00 0.00 C ATOM 0 H LEU A 18 -1.668 -3.173 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.730 -1.338 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.364 -1.135 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.402 0.220 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.516 -2.337 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.394 -1.307 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.781 -1.598 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.461 0.046 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.338 -0.865 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.533 0.517 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.133 -0.836 -2.260 1.00 0.00 H new ATOM 319 N GLU A 19 -0.630 -1.124 -4.975 1.00 0.00 N ATOM 320 CA GLU A 19 0.183 -0.543 -6.030 1.00 0.00 C ATOM 321 C GLU A 19 -0.375 -0.966 -7.390 1.00 0.00 C ATOM 322 O GLU A 19 -0.340 -0.149 -8.322 1.00 0.00 O ATOM 323 CB GLU A 19 1.653 -0.942 -5.892 1.00 0.00 C ATOM 324 CG GLU A 19 2.570 0.272 -6.053 1.00 0.00 C ATOM 325 CD GLU A 19 2.539 1.153 -4.803 1.00 0.00 C ATOM 326 OE1 GLU A 19 2.419 0.636 -3.683 1.00 0.00 O ATOM 327 OE2 GLU A 19 2.646 2.419 -5.027 1.00 0.00 O ATOM 0 H GLU A 19 -0.134 -1.791 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 19 0.140 0.543 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.819 -1.400 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.902 -1.692 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.590 -0.061 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.259 0.854 -6.920 1.00 0.00 H new ATOM 334 N ASN A 20 -0.870 -2.214 -7.476 1.00 0.00 N ATOM 335 CA ASN A 20 -1.428 -2.738 -8.711 1.00 0.00 C ATOM 336 C ASN A 20 -2.730 -1.999 -9.030 1.00 0.00 C ATOM 337 O ASN A 20 -3.070 -1.889 -10.217 1.00 0.00 O ATOM 338 CB ASN A 20 -1.749 -4.228 -8.582 1.00 0.00 C ATOM 339 CG ASN A 20 -0.568 -5.085 -9.042 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.279 -4.659 -9.809 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.560 -6.313 -8.532 1.00 0.00 N ATOM 0 H ASN A 20 -0.890 -2.871 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.691 -2.596 -9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.992 -4.463 -7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.630 -4.467 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.187 -6.963 -8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.301 -6.605 -7.895 1.00 0.00 H new ATOM 348 N GLU A 21 -3.422 -1.518 -7.981 1.00 0.00 N ATOM 349 CA GLU A 21 -4.672 -0.798 -8.149 1.00 0.00 C ATOM 350 C GLU A 21 -4.375 0.676 -8.434 1.00 0.00 C ATOM 351 O GLU A 21 -5.082 1.271 -9.260 1.00 0.00 O ATOM 352 CB GLU A 21 -5.576 -0.948 -6.923 1.00 0.00 C ATOM 353 CG GLU A 21 -7.040 -1.106 -7.336 1.00 0.00 C ATOM 354 CD GLU A 21 -7.936 -1.317 -6.114 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.450 -1.745 -5.056 1.00 0.00 O ATOM 356 OE2 GLU A 21 -9.178 -1.018 -6.289 1.00 0.00 O ATOM 0 H GLU A 21 -3.125 -1.622 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.210 -1.226 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.263 -1.815 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.469 -0.075 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.365 -0.220 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.140 -1.953 -8.015 1.00 0.00 H new ATOM 363 N VAL A 22 -3.350 1.224 -7.757 1.00 0.00 N ATOM 364 CA VAL A 22 -2.964 2.613 -7.937 1.00 0.00 C ATOM 365 C VAL A 22 -2.193 2.758 -9.251 1.00 0.00 C ATOM 366 O VAL A 22 -2.410 3.755 -9.955 1.00 0.00 O ATOM 367 CB VAL A 22 -2.171 3.098 -6.722 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.487 4.436 -7.011 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.067 3.196 -5.486 1.00 0.00 C ATOM 0 H VAL A 22 -2.780 0.715 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.847 3.248 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.393 2.363 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.930 4.758 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.802 4.321 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.241 5.184 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.479 3.543 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.877 3.900 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.485 2.215 -5.261 1.00 0.00 H new ATOM 379 N ALA A 23 -1.322 1.778 -9.549 1.00 0.00 N ATOM 380 CA ALA A 23 -0.528 1.797 -10.766 1.00 0.00 C ATOM 381 C ALA A 23 -1.453 1.647 -11.976 1.00 0.00 C ATOM 382 O ALA A 23 -1.040 2.018 -13.084 1.00 0.00 O ATOM 383 CB ALA A 23 0.408 0.587 -10.790 1.00 0.00 C ATOM 0 H ALA A 23 -1.158 0.965 -8.955 1.00 0.00 H new ATOM 0 HA ALA A 23 0.031 2.732 -10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.002 0.604 -11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.071 0.623 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.181 -0.329 -10.758 1.00 0.00 H new ATOM 389 N ARG A 24 -2.666 1.115 -11.743 1.00 0.00 N ATOM 390 CA ARG A 24 -3.638 0.919 -12.806 1.00 0.00 C ATOM 391 C ARG A 24 -4.546 2.147 -12.893 1.00 0.00 C ATOM 392 O ARG A 24 -5.041 2.439 -13.992 1.00 0.00 O ATOM 393 CB ARG A 24 -4.495 -0.325 -12.565 1.00 0.00 C ATOM 394 CG ARG A 24 -3.842 -1.567 -13.173 1.00 0.00 C ATOM 395 CD ARG A 24 -4.600 -2.836 -12.776 1.00 0.00 C ATOM 396 NE ARG A 24 -5.016 -3.577 -13.987 1.00 0.00 N ATOM 397 CZ ARG A 24 -4.244 -4.484 -14.623 1.00 0.00 C ATOM 398 NH1 ARG A 24 -3.020 -4.744 -14.143 1.00 0.00 N ATOM 399 NH2 ARG A 24 -4.694 -5.113 -15.717 1.00 0.00 N ATOM 0 H ARG A 24 -2.987 0.816 -10.822 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.093 0.779 -13.740 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.636 -0.472 -11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.484 -0.180 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.821 -1.476 -14.259 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.807 -1.638 -12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.967 -3.468 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.475 -2.575 -12.181 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.945 -3.391 -14.365 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.685 -4.260 -13.310 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.423 -5.426 -14.611 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.627 -4.908 -16.076 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.104 -5.797 -16.191 1.00 0.00 H new ATOM 413 N LEU A 25 -4.746 2.831 -11.752 1.00 0.00 N ATOM 414 CA LEU A 25 -5.587 4.014 -11.700 1.00 0.00 C ATOM 415 C LEU A 25 -4.766 5.237 -12.114 1.00 0.00 C ATOM 416 O LEU A 25 -5.327 6.134 -12.759 1.00 0.00 O ATOM 417 CB LEU A 25 -6.238 4.149 -10.322 1.00 0.00 C ATOM 418 CG LEU A 25 -7.375 3.170 -10.019 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.786 3.248 -8.547 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.559 3.398 -10.959 1.00 0.00 C ATOM 0 H LEU A 25 -4.330 2.574 -10.857 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.410 3.927 -12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.466 4.024 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.622 5.164 -10.221 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.013 2.158 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.595 2.543 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.932 2.998 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.124 4.258 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.353 2.690 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.931 4.415 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.238 3.252 -11.990 1.00 0.00 H new ATOM 432 N LYS A 26 -3.474 5.249 -11.741 1.00 0.00 N ATOM 433 CA LYS A 26 -2.587 6.351 -12.071 1.00 0.00 C ATOM 434 C LYS A 26 -2.538 6.524 -13.590 1.00 0.00 C ATOM 435 O LYS A 26 -2.255 7.641 -14.049 1.00 0.00 O ATOM 436 CB LYS A 26 -1.212 6.143 -11.432 1.00 0.00 C ATOM 437 CG LYS A 26 -1.022 7.068 -10.228 1.00 0.00 C ATOM 438 CD LYS A 26 -2.287 7.117 -9.369 1.00 0.00 C ATOM 439 CE LYS A 26 -3.088 8.392 -9.643 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.057 9.281 -8.469 1.00 0.00 N ATOM 0 H LYS A 26 -3.031 4.500 -11.209 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.969 7.284 -11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.106 5.105 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.432 6.334 -12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.183 6.720 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.773 8.072 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.905 6.244 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.016 7.073 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.675 8.909 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.119 8.136 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.262 10.256 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.772 8.972 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.115 9.244 -8.030 1.00 0.00 H new ATOM 454 N LYS A 27 -2.811 5.434 -14.330 1.00 0.00 N ATOM 455 CA LYS A 27 -2.798 5.465 -15.782 1.00 0.00 C ATOM 456 C LYS A 27 -4.103 6.085 -16.286 1.00 0.00 C ATOM 457 O LYS A 27 -4.164 6.449 -17.469 1.00 0.00 O ATOM 458 CB LYS A 27 -2.523 4.069 -16.346 1.00 0.00 C ATOM 459 CG LYS A 27 -1.561 4.138 -17.533 1.00 0.00 C ATOM 460 CD LYS A 27 -2.125 3.385 -18.740 1.00 0.00 C ATOM 461 CE LYS A 27 -1.722 1.910 -18.702 1.00 0.00 C ATOM 462 NZ LYS A 27 -1.319 1.451 -20.043 1.00 0.00 N ATOM 0 H LYS A 27 -3.043 4.523 -13.933 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.985 6.095 -16.142 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.100 3.435 -15.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.460 3.608 -16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.382 5.179 -17.801 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.598 3.711 -17.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.212 3.469 -18.750 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.761 3.842 -19.661 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.900 1.769 -18.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.556 1.308 -18.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.048 0.448 -20.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.114 1.567 -20.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.509 2.014 -20.374 1.00 0.00 H new ATOM 476 N LEU A 28 -5.103 6.193 -15.393 1.00 0.00 N ATOM 477 CA LEU A 28 -6.391 6.763 -15.746 1.00 0.00 C ATOM 478 C LEU A 28 -6.508 8.162 -15.138 1.00 0.00 C ATOM 479 O LEU A 28 -7.116 9.035 -15.777 1.00 0.00 O ATOM 480 CB LEU A 28 -7.525 5.820 -15.339 1.00 0.00 C ATOM 481 CG LEU A 28 -8.568 5.519 -16.416 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.125 4.348 -17.297 1.00 0.00 C ATOM 483 CD2 LEU A 28 -9.946 5.279 -15.796 1.00 0.00 C ATOM 0 H LEU A 28 -5.032 5.889 -14.422 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.474 6.876 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.087 4.877 -15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.036 6.249 -14.477 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.653 6.394 -17.061 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.885 4.155 -18.054 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.182 4.595 -17.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.993 3.459 -16.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.668 5.067 -16.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.895 4.431 -15.113 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.258 6.168 -15.248 1.00 0.00 H new ATOM 495 N VAL A 29 -5.934 8.346 -13.936 1.00 0.00 N ATOM 496 CA VAL A 29 -5.973 9.628 -13.251 1.00 0.00 C ATOM 497 C VAL A 29 -4.581 10.261 -13.284 1.00 0.00 C ATOM 498 O VAL A 29 -4.443 11.356 -13.851 1.00 0.00 O ATOM 499 CB VAL A 29 -6.514 9.447 -11.832 1.00 0.00 C ATOM 500 CG1 VAL A 29 -6.874 10.796 -11.206 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.715 8.498 -11.820 1.00 0.00 C ATOM 0 H VAL A 29 -5.439 7.614 -13.427 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.653 10.312 -13.759 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.726 8.997 -11.228 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.256 10.639 -10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.986 11.426 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.637 11.286 -11.811 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.080 8.387 -10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.508 8.906 -12.447 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.413 7.524 -12.206 1.00 0.00 H new ATOM 511 N GLY A 30 -3.591 9.574 -12.686 1.00 0.00 N ATOM 512 CA GLY A 30 -2.225 10.066 -12.647 1.00 0.00 C ATOM 513 C GLY A 30 -1.730 10.295 -14.077 1.00 0.00 C ATOM 514 O GLY A 30 -0.594 10.765 -14.238 1.00 0.00 O ATOM 0 H GLY A 30 -3.725 8.674 -12.225 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.177 10.996 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.582 9.348 -12.138 1.00 0.00 H new ATOM 518 N GLU A 31 -2.577 9.966 -15.068 1.00 0.00 N ATOM 519 CA GLU A 31 -2.227 10.135 -16.468 1.00 0.00 C ATOM 520 C GLU A 31 -1.547 11.492 -16.659 1.00 0.00 C ATOM 521 O GLU A 31 -1.755 12.379 -15.817 1.00 0.00 O ATOM 522 CB GLU A 31 -3.453 10.003 -17.374 1.00 0.00 C ATOM 523 CG GLU A 31 -4.100 11.368 -17.623 1.00 0.00 C ATOM 524 CD GLU A 31 -5.483 11.211 -18.257 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.582 10.260 -19.124 1.00 0.00 O ATOM 526 OE2 GLU A 31 -6.406 11.970 -17.926 1.00 0.00 O ATOM 0 H GLU A 31 -3.509 9.581 -14.913 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.535 9.343 -16.753 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.161 9.556 -18.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.178 9.331 -16.915 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.187 11.910 -16.682 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.462 11.963 -18.276 1.00 0.00 H new ATOM 533 N ARG A 32 -0.764 11.626 -17.743 1.00 0.00 N ATOM 534 CA ARG A 32 -0.063 12.864 -18.038 1.00 0.00 C ATOM 535 C ARG A 32 -0.598 13.450 -19.347 1.00 0.00 C ATOM 536 O ARG A 32 -1.803 13.646 -19.494 1.00 0.00 O ATOM 537 CB ARG A 32 1.446 12.642 -18.168 1.00 0.00 C ATOM 538 CG ARG A 32 1.757 11.184 -18.513 1.00 0.00 C ATOM 539 CD ARG A 32 3.153 10.790 -18.025 1.00 0.00 C ATOM 540 NE ARG A 32 4.058 11.959 -18.085 1.00 0.00 N ATOM 541 CZ ARG A 32 5.384 11.878 -18.321 1.00 0.00 C ATOM 542 NH1 ARG A 32 5.937 10.672 -18.516 1.00 0.00 N ATOM 543 NH2 ARG A 32 6.138 12.985 -18.361 1.00 0.00 N ATOM 0 H ARG A 32 -0.607 10.883 -18.425 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.236 13.553 -17.211 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.848 13.296 -18.941 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.939 12.912 -17.234 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.011 10.532 -18.058 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.691 11.040 -19.591 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.098 10.415 -17.003 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.548 9.982 -18.641 1.00 0.00 H new ATOM 0 HE ARG A 32 3.654 12.884 -17.939 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.357 9.834 -18.485 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.938 10.593 -18.696 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.710 13.899 -18.212 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.140 12.914 -18.540 1.00 0.00 H new ATOM 558 N MET B 1 16.469 -6.864 11.565 1.00 0.00 N ATOM 559 CA MET B 1 15.395 -6.664 12.523 1.00 0.00 C ATOM 560 C MET B 1 15.202 -5.165 12.759 1.00 0.00 C ATOM 561 O MET B 1 14.046 -4.714 12.770 1.00 0.00 O ATOM 562 CB MET B 1 15.729 -7.352 13.848 1.00 0.00 C ATOM 563 CG MET B 1 14.479 -7.980 14.469 1.00 0.00 C ATOM 564 SD MET B 1 14.605 -7.951 16.282 1.00 0.00 S ATOM 565 CE MET B 1 14.114 -9.659 16.660 1.00 0.00 C ATOM 0 H1 MET B 1 16.514 -7.868 11.299 1.00 0.00 H new ATOM 0 H2 MET B 1 16.290 -6.289 10.717 1.00 0.00 H new ATOM 0 H3 MET B 1 17.373 -6.578 11.992 1.00 0.00 H new ATOM 0 HA MET B 1 14.478 -7.097 12.125 1.00 0.00 H new ATOM 0 HB2 MET B 1 16.483 -8.121 13.683 1.00 0.00 H new ATOM 0 HB3 MET B 1 16.159 -6.628 14.540 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.591 -7.435 14.149 1.00 0.00 H new ATOM 0 HG3 MET B 1 14.366 -9.007 14.120 1.00 0.00 H new ATOM 0 HE1 MET B 1 14.465 -9.927 17.656 1.00 0.00 H new ATOM 0 HE2 MET B 1 13.028 -9.742 16.624 1.00 0.00 H new ATOM 0 HE3 MET B 1 14.554 -10.335 15.927 1.00 0.00 H new ATOM 575 N ASP B 2 16.316 -4.435 12.941 1.00 0.00 N ATOM 576 CA ASP B 2 16.269 -3.001 13.174 1.00 0.00 C ATOM 577 C ASP B 2 15.470 -2.333 12.054 1.00 0.00 C ATOM 578 O ASP B 2 14.767 -1.352 12.336 1.00 0.00 O ATOM 579 CB ASP B 2 17.674 -2.397 13.178 1.00 0.00 C ATOM 580 CG ASP B 2 18.771 -3.315 13.722 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.807 -3.623 14.923 1.00 0.00 O ATOM 582 OD2 ASP B 2 19.626 -3.723 12.846 1.00 0.00 O ATOM 0 H ASP B 2 17.258 -4.826 12.929 1.00 0.00 H new ATOM 0 HA ASP B 2 15.802 -2.832 14.144 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.933 -2.111 12.159 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.659 -1.483 13.772 1.00 0.00 H new ATOM 587 N ALA B 3 15.591 -2.867 10.826 1.00 0.00 N ATOM 588 CA ALA B 3 14.885 -2.326 9.677 1.00 0.00 C ATOM 589 C ALA B 3 13.522 -3.011 9.552 1.00 0.00 C ATOM 590 O ALA B 3 12.665 -2.489 8.825 1.00 0.00 O ATOM 591 CB ALA B 3 15.652 -2.661 8.396 1.00 0.00 C ATOM 0 H ALA B 3 16.176 -3.675 10.615 1.00 0.00 H new ATOM 0 HA ALA B 3 14.785 -1.249 9.810 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.120 -2.254 7.536 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.650 -2.225 8.445 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.733 -3.743 8.293 1.00 0.00 H new ATOM 597 N ILE B 4 13.353 -4.147 10.251 1.00 0.00 N ATOM 598 CA ILE B 4 12.106 -4.893 10.219 1.00 0.00 C ATOM 599 C ILE B 4 11.049 -4.148 11.037 1.00 0.00 C ATOM 600 O ILE B 4 9.925 -3.986 10.539 1.00 0.00 O ATOM 601 CB ILE B 4 12.333 -6.336 10.676 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.274 -7.072 9.721 1.00 0.00 C ATOM 603 CG2 ILE B 4 11.003 -7.070 10.851 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.706 -8.441 9.338 1.00 0.00 C ATOM 0 H ILE B 4 14.073 -4.560 10.843 1.00 0.00 H new ATOM 0 HA ILE B 4 11.729 -4.961 9.198 1.00 0.00 H new ATOM 0 HB ILE B 4 12.819 -6.314 11.651 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.427 -6.474 8.823 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.250 -7.198 10.191 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.192 -8.093 11.176 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.400 -6.557 11.600 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.468 -7.084 9.902 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.394 -8.943 8.658 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.577 -9.045 10.236 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.742 -8.310 8.847 1.00 0.00 H new ATOM 616 N LYS B 5 11.424 -3.715 12.254 1.00 0.00 N ATOM 617 CA LYS B 5 10.514 -2.995 13.128 1.00 0.00 C ATOM 618 C LYS B 5 9.966 -1.772 12.391 1.00 0.00 C ATOM 619 O LYS B 5 8.808 -1.403 12.641 1.00 0.00 O ATOM 620 CB LYS B 5 11.201 -2.657 14.453 1.00 0.00 C ATOM 621 CG LYS B 5 12.720 -2.591 14.283 1.00 0.00 C ATOM 622 CD LYS B 5 13.345 -1.626 15.293 1.00 0.00 C ATOM 623 CE LYS B 5 13.806 -2.369 16.548 1.00 0.00 C ATOM 624 NZ LYS B 5 13.798 -1.467 17.712 1.00 0.00 N ATOM 0 H LYS B 5 12.355 -3.857 12.645 1.00 0.00 H new ATOM 0 HA LYS B 5 9.660 -3.620 13.387 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.831 -1.701 14.825 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.948 -3.409 15.200 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.147 -3.585 14.413 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.962 -2.270 13.270 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.193 -1.115 14.837 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.620 -0.859 15.566 1.00 0.00 H new ATOM 0 HE2 LYS B 5 13.151 -3.220 16.735 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.809 -2.766 16.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 14.113 -1.987 18.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.441 -0.668 17.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.834 -1.108 17.867 1.00 0.00 H new ATOM 638 N LYS B 6 10.791 -1.177 11.512 1.00 0.00 N ATOM 639 CA LYS B 6 10.390 -0.009 10.747 1.00 0.00 C ATOM 640 C LYS B 6 9.737 -0.459 9.440 1.00 0.00 C ATOM 641 O LYS B 6 8.899 0.287 8.912 1.00 0.00 O ATOM 642 CB LYS B 6 11.579 0.934 10.548 1.00 0.00 C ATOM 643 CG LYS B 6 12.565 0.828 11.712 1.00 0.00 C ATOM 644 CD LYS B 6 13.236 2.175 11.989 1.00 0.00 C ATOM 645 CE LYS B 6 13.785 2.789 10.699 1.00 0.00 C ATOM 646 NZ LYS B 6 13.747 4.260 10.772 1.00 0.00 N ATOM 0 H LYS B 6 11.741 -1.496 11.321 1.00 0.00 H new ATOM 0 HA LYS B 6 9.643 0.567 11.294 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.087 0.693 9.614 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.223 1.960 10.461 1.00 0.00 H new ATOM 0 HG2 LYS B 6 12.042 0.488 12.606 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.324 0.080 11.483 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.517 2.857 12.444 1.00 0.00 H new ATOM 0 HD3 LYS B 6 14.046 2.041 12.706 1.00 0.00 H new ATOM 0 HE2 LYS B 6 14.809 2.453 10.536 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.198 2.446 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 14.123 4.661 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 12.765 4.576 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 14.326 4.583 11.573 1.00 0.00 H new ATOM 660 N LYS B 7 10.124 -1.651 8.952 1.00 0.00 N ATOM 661 CA LYS B 7 9.579 -2.192 7.719 1.00 0.00 C ATOM 662 C LYS B 7 8.053 -2.242 7.819 1.00 0.00 C ATOM 663 O LYS B 7 7.385 -1.753 6.897 1.00 0.00 O ATOM 664 CB LYS B 7 10.219 -3.544 7.398 1.00 0.00 C ATOM 665 CG LYS B 7 9.683 -4.106 6.080 1.00 0.00 C ATOM 666 CD LYS B 7 9.867 -3.102 4.940 1.00 0.00 C ATOM 667 CE LYS B 7 10.353 -3.799 3.668 1.00 0.00 C ATOM 668 NZ LYS B 7 9.212 -4.311 2.892 1.00 0.00 N ATOM 0 H LYS B 7 10.815 -2.251 9.403 1.00 0.00 H new ATOM 0 HA LYS B 7 9.822 -1.543 6.878 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.301 -3.432 7.336 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.017 -4.247 8.206 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.201 -5.034 5.839 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.626 -4.350 6.188 1.00 0.00 H new ATOM 0 HD2 LYS B 7 8.923 -2.594 4.742 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.585 -2.337 5.237 1.00 0.00 H new ATOM 0 HE2 LYS B 7 10.929 -3.100 3.061 1.00 0.00 H new ATOM 0 HE3 LYS B 7 11.021 -4.620 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 9.493 -5.179 2.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.422 -4.522 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 8.913 -3.594 2.200 1.00 0.00 H new ATOM 682 N MET B 8 7.541 -2.822 8.919 1.00 0.00 N ATOM 683 CA MET B 8 6.108 -2.934 9.135 1.00 0.00 C ATOM 684 C MET B 8 5.509 -1.534 9.284 1.00 0.00 C ATOM 685 O MET B 8 4.321 -1.365 8.972 1.00 0.00 O ATOM 686 CB MET B 8 5.822 -3.749 10.398 1.00 0.00 C ATOM 687 CG MET B 8 6.577 -3.181 11.600 1.00 0.00 C ATOM 688 SD MET B 8 6.015 -3.990 13.127 1.00 0.00 S ATOM 689 CE MET B 8 6.005 -2.564 14.253 1.00 0.00 C ATOM 0 H MET B 8 8.109 -3.218 9.668 1.00 0.00 H new ATOM 0 HA MET B 8 5.659 -3.441 8.281 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.751 -3.746 10.602 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.113 -4.787 10.239 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.649 -3.333 11.472 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.413 -2.105 11.667 1.00 0.00 H new ATOM 0 HE1 MET B 8 5.681 -2.885 15.243 1.00 0.00 H new ATOM 0 HE2 MET B 8 7.009 -2.144 14.318 1.00 0.00 H new ATOM 0 HE3 MET B 8 5.319 -1.806 13.875 1.00 0.00 H new ATOM 699 N GLN B 9 6.329 -0.575 9.748 1.00 0.00 N ATOM 700 CA GLN B 9 5.882 0.795 9.935 1.00 0.00 C ATOM 701 C GLN B 9 5.884 1.517 8.585 1.00 0.00 C ATOM 702 O GLN B 9 5.134 2.493 8.437 1.00 0.00 O ATOM 703 CB GLN B 9 6.751 1.537 10.953 1.00 0.00 C ATOM 704 CG GLN B 9 6.579 0.945 12.354 1.00 0.00 C ATOM 705 CD GLN B 9 7.191 1.863 13.414 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.525 2.691 14.014 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.491 1.669 13.612 1.00 0.00 N ATOM 0 H GLN B 9 7.305 -0.735 9.998 1.00 0.00 H new ATOM 0 HA GLN B 9 4.868 0.779 10.334 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.798 1.478 10.655 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.482 2.593 10.965 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.519 0.797 12.563 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.053 -0.036 12.399 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.988 0.958 13.075 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.991 2.231 14.301 1.00 0.00 H new ATOM 716 N MET B 10 6.711 1.029 7.643 1.00 0.00 N ATOM 717 CA MET B 10 6.806 1.623 6.320 1.00 0.00 C ATOM 718 C MET B 10 5.680 1.079 5.438 1.00 0.00 C ATOM 719 O MET B 10 5.110 1.859 4.663 1.00 0.00 O ATOM 720 CB MET B 10 8.158 1.292 5.685 1.00 0.00 C ATOM 721 CG MET B 10 9.308 1.619 6.639 1.00 0.00 C ATOM 722 SD MET B 10 10.460 2.782 5.850 1.00 0.00 S ATOM 723 CE MET B 10 11.151 3.590 7.323 1.00 0.00 C ATOM 0 H MET B 10 7.320 0.223 7.785 1.00 0.00 H new ATOM 0 HA MET B 10 6.715 2.705 6.410 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.190 0.235 5.420 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.277 1.856 4.760 1.00 0.00 H new ATOM 0 HG2 MET B 10 8.916 2.051 7.560 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.834 0.705 6.915 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.882 4.339 7.018 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.350 4.072 7.883 1.00 0.00 H new ATOM 0 HE3 MET B 10 11.637 2.845 7.953 1.00 0.00 H new ATOM 733 N LEU B 11 5.388 -0.228 5.573 1.00 0.00 N ATOM 734 CA LEU B 11 4.341 -0.866 4.794 1.00 0.00 C ATOM 735 C LEU B 11 2.977 -0.490 5.376 1.00 0.00 C ATOM 736 O LEU B 11 1.995 -0.482 4.620 1.00 0.00 O ATOM 737 CB LEU B 11 4.580 -2.376 4.712 1.00 0.00 C ATOM 738 CG LEU B 11 5.934 -2.811 4.149 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.401 -4.117 4.794 1.00 0.00 C ATOM 740 CD2 LEU B 11 5.887 -2.911 2.623 1.00 0.00 C ATOM 0 H LEU B 11 5.870 -0.853 6.219 1.00 0.00 H new ATOM 0 HA LEU B 11 4.359 -0.507 3.765 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.473 -2.796 5.712 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.795 -2.815 4.097 1.00 0.00 H new ATOM 0 HG LEU B 11 6.670 -2.046 4.399 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.366 -4.404 4.376 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.499 -3.977 5.870 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.671 -4.902 4.595 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.862 -3.222 2.249 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.135 -3.643 2.329 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.630 -1.939 2.202 1.00 0.00 H new ATOM 752 N LYS B 12 2.944 -0.190 6.687 1.00 0.00 N ATOM 753 CA LYS B 12 1.712 0.183 7.361 1.00 0.00 C ATOM 754 C LYS B 12 1.386 1.645 7.048 1.00 0.00 C ATOM 755 O LYS B 12 0.195 1.979 6.963 1.00 0.00 O ATOM 756 CB LYS B 12 1.807 -0.118 8.858 1.00 0.00 C ATOM 757 CG LYS B 12 0.456 0.086 9.545 1.00 0.00 C ATOM 758 CD LYS B 12 -0.031 -1.210 10.197 1.00 0.00 C ATOM 759 CE LYS B 12 -1.534 -1.399 9.984 1.00 0.00 C ATOM 760 NZ LYS B 12 -2.266 -1.165 11.239 1.00 0.00 N ATOM 0 H LYS B 12 3.765 -0.202 7.292 1.00 0.00 H new ATOM 0 HA LYS B 12 0.880 -0.416 6.991 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.143 -1.144 9.006 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.554 0.531 9.316 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.543 0.867 10.301 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -0.278 0.428 8.816 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.509 -2.058 9.776 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.189 -1.189 11.264 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.888 -0.711 9.216 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -1.732 -2.408 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -3.248 -1.491 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -1.808 -1.690 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -2.260 -0.149 11.460 1.00 0.00 H new ATOM 774 N LEU B 13 2.433 2.473 6.885 1.00 0.00 N ATOM 775 CA LEU B 13 2.260 3.884 6.584 1.00 0.00 C ATOM 776 C LEU B 13 1.868 4.043 5.113 1.00 0.00 C ATOM 777 O LEU B 13 0.950 4.826 4.828 1.00 0.00 O ATOM 778 CB LEU B 13 3.510 4.674 6.975 1.00 0.00 C ATOM 779 CG LEU B 13 3.330 6.186 7.124 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.638 6.925 6.834 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.181 6.689 6.248 1.00 0.00 C ATOM 0 H LEU B 13 3.406 2.177 6.959 1.00 0.00 H new ATOM 0 HA LEU B 13 1.448 4.303 7.179 1.00 0.00 H new ATOM 0 HB2 LEU B 13 3.885 4.278 7.919 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.280 4.492 6.225 1.00 0.00 H new ATOM 0 HG LEU B 13 3.063 6.399 8.159 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.482 7.998 6.947 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.406 6.594 7.533 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.959 6.710 5.815 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.074 7.767 6.372 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.394 6.463 5.203 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.255 6.196 6.544 1.00 0.00 H new ATOM 793 N ASP B 14 2.559 3.309 4.223 1.00 0.00 N ATOM 794 CA ASP B 14 2.285 3.368 2.797 1.00 0.00 C ATOM 795 C ASP B 14 0.858 2.884 2.536 1.00 0.00 C ATOM 796 O ASP B 14 0.212 3.417 1.621 1.00 0.00 O ATOM 797 CB ASP B 14 3.241 2.466 2.015 1.00 0.00 C ATOM 798 CG ASP B 14 3.778 3.067 0.714 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.449 4.160 0.854 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.567 2.519 -0.378 1.00 0.00 O ATOM 0 H ASP B 14 3.311 2.669 4.478 1.00 0.00 H new ATOM 0 HA ASP B 14 2.415 4.400 2.471 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.085 2.214 2.657 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.728 1.533 1.782 1.00 0.00 H new ATOM 805 N ASN B 15 0.401 1.901 3.331 1.00 0.00 N ATOM 806 CA ASN B 15 -0.937 1.353 3.187 1.00 0.00 C ATOM 807 C ASN B 15 -1.966 2.461 3.421 1.00 0.00 C ATOM 808 O ASN B 15 -2.874 2.608 2.590 1.00 0.00 O ATOM 809 CB ASN B 15 -1.193 0.246 4.213 1.00 0.00 C ATOM 810 CG ASN B 15 -2.224 -0.757 3.692 1.00 0.00 C ATOM 811 OD1 ASN B 15 -1.698 -1.761 2.995 1.00 0.00 O flip ATOM 812 ND2 ASN B 15 -3.418 -0.628 3.906 1.00 0.00 N flip ATOM 0 H ASN B 15 0.949 1.476 4.079 1.00 0.00 H new ATOM 0 HA ASN B 15 -1.025 0.941 2.182 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.259 -0.270 4.437 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.547 0.685 5.146 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -3.756 0.167 4.449 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -4.078 -1.315 3.542 1.00 0.00 H new ATOM 819 N TYR B 16 -1.807 3.207 4.529 1.00 0.00 N ATOM 820 CA TYR B 16 -2.753 4.272 4.811 1.00 0.00 C ATOM 821 C TYR B 16 -2.744 5.275 3.655 1.00 0.00 C ATOM 822 O TYR B 16 -3.824 5.773 3.309 1.00 0.00 O ATOM 823 CB TYR B 16 -2.410 4.943 6.154 1.00 0.00 C ATOM 824 CG TYR B 16 -2.209 3.973 7.310 1.00 0.00 C ATOM 825 CD1 TYR B 16 -3.025 2.825 7.432 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.203 4.221 8.274 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.837 1.931 8.508 1.00 0.00 C ATOM 828 CE2 TYR B 16 -1.015 3.327 9.348 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.830 2.181 9.467 1.00 0.00 C ATOM 830 OH TYR B 16 -1.644 1.317 10.509 1.00 0.00 O ATOM 0 H TYR B 16 -1.059 3.091 5.213 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.759 3.863 4.900 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.502 5.534 6.030 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.209 5.637 6.414 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.795 2.631 6.700 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.578 5.097 8.187 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.463 1.056 8.598 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.246 3.520 10.081 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.003 1.713 11.330 1.00 0.00 H new ATOM 840 N HIS B 17 -1.552 5.555 3.098 1.00 0.00 N ATOM 841 CA HIS B 17 -1.416 6.497 2.001 1.00 0.00 C ATOM 842 C HIS B 17 -2.048 5.903 0.742 1.00 0.00 C ATOM 843 O HIS B 17 -2.724 6.645 0.015 1.00 0.00 O ATOM 844 CB HIS B 17 0.047 6.895 1.799 1.00 0.00 C ATOM 845 CG HIS B 17 0.511 6.819 0.364 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.425 7.889 -0.509 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.067 5.792 -0.340 1.00 0.00 C ATOM 848 CE1 HIS B 17 0.909 7.512 -1.683 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.306 6.211 -1.577 1.00 0.00 N ATOM 0 H HIS B 17 -0.673 5.134 3.399 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.949 7.418 2.238 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.190 7.912 2.163 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.677 6.247 2.409 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.277 4.805 0.044 1.00 0.00 H new ATOM 0 HE1 HIS B 17 0.977 8.127 -2.569 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.718 5.653 -2.324 1.00 0.00 H new ATOM 857 N LEU B 18 -1.822 4.597 0.513 1.00 0.00 N ATOM 858 CA LEU B 18 -2.366 3.912 -0.648 1.00 0.00 C ATOM 859 C LEU B 18 -3.891 3.863 -0.536 1.00 0.00 C ATOM 860 O LEU B 18 -4.562 4.007 -1.569 1.00 0.00 O ATOM 861 CB LEU B 18 -1.716 2.537 -0.812 1.00 0.00 C ATOM 862 CG LEU B 18 -0.263 2.534 -1.291 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.325 1.122 -1.247 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.143 3.161 -2.681 1.00 0.00 C ATOM 0 H LEU B 18 -1.263 4.003 1.125 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.130 4.460 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.763 2.019 0.146 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.311 1.958 -1.518 1.00 0.00 H new ATOM 0 HG LEU B 18 0.323 3.149 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.359 1.147 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.293 0.746 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.257 0.465 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.900 3.146 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.746 2.593 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.498 4.191 -2.647 1.00 0.00 H new ATOM 876 N GLU B 19 -4.399 3.664 0.692 1.00 0.00 N ATOM 877 CA GLU B 19 -5.830 3.598 0.932 1.00 0.00 C ATOM 878 C GLU B 19 -6.452 4.973 0.674 1.00 0.00 C ATOM 879 O GLU B 19 -7.427 5.045 -0.087 1.00 0.00 O ATOM 880 CB GLU B 19 -6.141 3.114 2.350 1.00 0.00 C ATOM 881 CG GLU B 19 -7.450 2.324 2.386 1.00 0.00 C ATOM 882 CD GLU B 19 -7.256 0.971 3.076 1.00 0.00 C ATOM 883 OE1 GLU B 19 -7.064 1.032 4.350 1.00 0.00 O ATOM 884 OE2 GLU B 19 -7.288 -0.074 2.410 1.00 0.00 O ATOM 0 H GLU B 19 -3.828 3.547 1.529 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.265 2.872 0.245 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.325 2.489 2.712 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.210 3.969 3.023 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -8.211 2.899 2.913 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.814 2.169 1.370 1.00 0.00 H new ATOM 891 N ASN B 20 -5.884 6.017 1.302 1.00 0.00 N ATOM 892 CA ASN B 20 -6.378 7.374 1.140 1.00 0.00 C ATOM 893 C ASN B 20 -6.241 7.792 -0.325 1.00 0.00 C ATOM 894 O ASN B 20 -7.078 8.575 -0.796 1.00 0.00 O ATOM 895 CB ASN B 20 -5.572 8.359 1.990 1.00 0.00 C ATOM 896 CG ASN B 20 -5.428 7.854 3.427 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.248 7.106 3.934 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.345 8.303 4.052 1.00 0.00 N ATOM 0 H ASN B 20 -5.081 5.935 1.926 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.421 7.392 1.457 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.585 8.501 1.550 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -6.064 9.332 1.990 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -4.159 8.024 5.015 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.699 8.927 3.569 1.00 0.00 H new ATOM 905 N GLU B 21 -5.206 7.268 -1.006 1.00 0.00 N ATOM 906 CA GLU B 21 -4.964 7.584 -2.403 1.00 0.00 C ATOM 907 C GLU B 21 -5.912 6.762 -3.279 1.00 0.00 C ATOM 908 O GLU B 21 -6.295 7.250 -4.353 1.00 0.00 O ATOM 909 CB GLU B 21 -3.505 7.336 -2.792 1.00 0.00 C ATOM 910 CG GLU B 21 -3.187 7.956 -4.154 1.00 0.00 C ATOM 911 CD GLU B 21 -2.714 9.404 -4.001 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.880 9.694 -3.130 1.00 0.00 O ATOM 913 OE2 GLU B 21 -3.244 10.240 -4.826 1.00 0.00 O ATOM 0 H GLU B 21 -4.529 6.623 -0.599 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.158 8.645 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.846 7.758 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.310 6.264 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.416 7.369 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.073 7.924 -4.788 1.00 0.00 H new ATOM 920 N VAL B 22 -6.264 5.550 -2.812 1.00 0.00 N ATOM 921 CA VAL B 22 -7.158 4.673 -3.548 1.00 0.00 C ATOM 922 C VAL B 22 -8.601 5.146 -3.359 1.00 0.00 C ATOM 923 O VAL B 22 -9.383 5.051 -4.317 1.00 0.00 O ATOM 924 CB VAL B 22 -6.943 3.223 -3.110 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.241 2.418 -3.220 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.823 2.566 -3.919 1.00 0.00 C ATOM 0 H VAL B 22 -5.936 5.166 -1.926 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.940 4.714 -4.615 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.641 3.232 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.060 1.391 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -9.002 2.866 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.586 2.423 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.691 1.536 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.084 2.576 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.895 3.117 -3.769 1.00 0.00 H new ATOM 936 N ALA B 23 -8.919 5.639 -2.149 1.00 0.00 N ATOM 937 CA ALA B 23 -10.256 6.121 -1.841 1.00 0.00 C ATOM 938 C ALA B 23 -10.517 7.415 -2.617 1.00 0.00 C ATOM 939 O ALA B 23 -11.691 7.775 -2.784 1.00 0.00 O ATOM 940 CB ALA B 23 -10.342 6.485 -0.358 1.00 0.00 C ATOM 0 H ALA B 23 -8.259 5.710 -1.374 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.973 5.343 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.345 6.846 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.127 5.603 0.246 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.615 7.265 -0.132 1.00 0.00 H new ATOM 946 N ARG B 24 -9.436 8.076 -3.066 1.00 0.00 N ATOM 947 CA ARG B 24 -9.548 9.316 -3.815 1.00 0.00 C ATOM 948 C ARG B 24 -9.567 9.002 -5.313 1.00 0.00 C ATOM 949 O ARG B 24 -10.233 9.733 -6.059 1.00 0.00 O ATOM 950 CB ARG B 24 -8.384 10.263 -3.514 1.00 0.00 C ATOM 951 CG ARG B 24 -8.745 11.234 -2.389 1.00 0.00 C ATOM 952 CD ARG B 24 -9.518 10.522 -1.276 1.00 0.00 C ATOM 953 NE ARG B 24 -9.713 11.437 -0.129 1.00 0.00 N ATOM 954 CZ ARG B 24 -10.878 12.061 0.150 1.00 0.00 C ATOM 955 NH1 ARG B 24 -11.935 11.852 -0.646 1.00 0.00 N ATOM 956 NH2 ARG B 24 -10.975 12.876 1.210 1.00 0.00 N ATOM 0 H ARG B 24 -8.477 7.762 -2.917 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.473 9.809 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.504 9.685 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.124 10.822 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.836 11.676 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.346 12.051 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -10.484 10.185 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -8.974 9.634 -0.955 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.919 11.607 0.488 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -11.853 11.229 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -12.822 12.316 -0.449 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -10.166 13.028 1.812 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -11.858 13.344 1.414 1.00 0.00 H new ATOM 970 N LEU B 25 -8.848 7.938 -5.714 1.00 0.00 N ATOM 971 CA LEU B 25 -8.783 7.535 -7.108 1.00 0.00 C ATOM 972 C LEU B 25 -10.064 6.782 -7.477 1.00 0.00 C ATOM 973 O LEU B 25 -10.578 7.000 -8.582 1.00 0.00 O ATOM 974 CB LEU B 25 -7.504 6.739 -7.377 1.00 0.00 C ATOM 975 CG LEU B 25 -6.218 7.559 -7.496 1.00 0.00 C ATOM 976 CD1 LEU B 25 -4.995 6.647 -7.616 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.305 8.555 -8.654 1.00 0.00 C ATOM 0 H LEU B 25 -8.307 7.348 -5.082 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.729 8.410 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.376 6.013 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.638 6.174 -8.299 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.099 8.140 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.094 7.255 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.925 6.014 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.093 6.021 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.377 9.124 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.461 8.015 -9.588 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.139 9.237 -8.486 1.00 0.00 H new ATOM 989 N LYS B 26 -10.544 5.925 -6.557 1.00 0.00 N ATOM 990 CA LYS B 26 -11.751 5.150 -6.785 1.00 0.00 C ATOM 991 C LYS B 26 -12.938 6.100 -6.954 1.00 0.00 C ATOM 992 O LYS B 26 -13.912 5.716 -7.618 1.00 0.00 O ATOM 993 CB LYS B 26 -11.944 4.118 -5.671 1.00 0.00 C ATOM 994 CG LYS B 26 -11.054 2.894 -5.898 1.00 0.00 C ATOM 995 CD LYS B 26 -11.888 1.611 -5.939 1.00 0.00 C ATOM 996 CE LYS B 26 -12.656 1.498 -7.256 1.00 0.00 C ATOM 997 NZ LYS B 26 -12.706 0.097 -7.705 1.00 0.00 N ATOM 0 H LYS B 26 -10.105 5.760 -5.651 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.666 4.577 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.709 4.570 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.989 3.810 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.506 3.006 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.313 2.825 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.236 0.746 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.588 1.601 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.668 1.881 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.177 2.113 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.231 0.038 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.738 -0.257 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.184 -0.481 -6.985 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.837 7.303 -6.360 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.894 8.296 -6.445 1.00 0.00 C ATOM 1013 C LYS B 27 -13.778 9.047 -7.773 1.00 0.00 C ATOM 1014 O LYS B 27 -14.707 9.795 -8.110 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.870 9.209 -5.218 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.285 9.445 -4.683 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.402 8.997 -3.225 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.756 10.017 -2.285 1.00 0.00 C ATOM 1019 NZ LYS B 27 -13.589 10.644 -2.926 1.00 0.00 N ATOM 0 H LYS B 27 -12.026 7.600 -5.817 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.871 7.814 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.253 8.761 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.412 10.163 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.536 10.503 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -16.004 8.899 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -16.452 8.870 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.922 8.026 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.484 10.782 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.450 9.526 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.266 11.447 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.822 9.947 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.853 10.982 -3.873 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.659 8.835 -8.488 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.426 9.488 -9.765 1.00 0.00 C ATOM 1035 C LEU B 28 -12.630 8.476 -10.894 1.00 0.00 C ATOM 1036 O LEU B 28 -13.121 8.872 -11.961 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.053 10.160 -9.782 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.021 11.611 -10.266 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.263 12.581 -9.107 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.717 11.915 -11.005 1.00 0.00 C ATOM 0 H LEU B 28 -11.907 8.213 -8.192 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.148 10.290 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.641 10.125 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.391 9.572 -10.417 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.834 11.751 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.235 13.605 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.239 12.382 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.488 12.447 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.721 12.953 -11.338 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -8.873 11.752 -10.335 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.627 11.257 -11.869 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.255 7.208 -10.642 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.395 6.153 -11.630 1.00 0.00 C ATOM 1054 C VAL B 29 -13.505 5.194 -11.192 1.00 0.00 C ATOM 1055 O VAL B 29 -14.518 5.103 -11.901 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.051 5.453 -11.843 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.096 4.540 -13.070 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -9.915 6.471 -11.958 1.00 0.00 C ATOM 0 H VAL B 29 -11.853 6.901 -9.756 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.686 6.570 -12.594 1.00 0.00 H new ATOM 0 HB VAL B 29 -10.856 4.830 -10.970 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.128 4.055 -13.198 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -11.866 3.782 -12.931 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.325 5.132 -13.956 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.971 5.947 -12.109 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.103 7.132 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.861 7.060 -11.043 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.296 4.512 -10.052 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.272 3.571 -9.528 1.00 0.00 C ATOM 1070 C GLY B 30 -15.624 4.273 -9.383 1.00 0.00 C ATOM 1071 O GLY B 30 -16.617 3.587 -9.103 1.00 0.00 O ATOM 0 H GLY B 30 -12.454 4.603 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.364 2.715 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.943 3.188 -8.562 1.00 0.00 H new