USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -122:sc= 0.441 (180deg=-1.34) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 160:sc= -0.0653 (180deg=-0.435) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -179:sc= -0.24 (180deg=-0.248) USER MOD Single : A 1 SER N :NH3+ 155:sc=0.000259 (180deg=0) USER MOD Single : A 1 SER OG : rot 150:sc= 0.00146 USER MOD Single : A 2 MET CE :methyl -149:sc= -8.4! (180deg=-13.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.0207 (180deg=-0.167) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -12.9! C(o=-15!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -0.205 (180deg=-0.325) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -1.29! (180deg=-2.03!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 32 MET CE :methyl -170:sc= -0.0312 (180deg=-0.259) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.0433 (180deg=-0.142) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.109 (180deg=-0.515) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0658 (180deg=-0.402) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.154 F(o=-0.87,f=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -1.67! (180deg=-3.07!) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= -1.42 (180deg=-1.5) USER MOD Single : A 55 SER OG : rot -65:sc= 1.06 USER MOD Single : A 71 SER OG : rot 132:sc= -0.0798 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0311 (180deg=-0.291) USER MOD Single : A 82 THR OG1 : rot 59:sc= 1.08 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 61:sc= 1.02 USER MOD Single : A 86 MET CE :methyl -124:sc= -10.6! (180deg=-19.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 135:sc= 0.349 (180deg=-1.29) USER MOD Single : A 103 SER OG : rot -67:sc= 1.21 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 109 SER OG : rot 168:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.148 -7.967 9.794 1.00 0.00 N ATOM 2 CA SER A 1 5.069 -8.862 9.299 1.00 0.00 C ATOM 3 C SER A 1 5.302 -9.246 7.842 1.00 0.00 C ATOM 4 O SER A 1 5.623 -10.393 7.535 1.00 0.00 O ATOM 5 CB SER A 1 3.711 -8.175 9.440 1.00 0.00 C ATOM 6 OG SER A 1 3.450 -7.833 10.790 1.00 0.00 O ATOM 0 H1 SER A 1 5.788 -7.393 10.584 1.00 0.00 H new ATOM 0 H2 SER A 1 6.952 -8.540 10.120 1.00 0.00 H new ATOM 0 H3 SER A 1 6.459 -7.340 9.025 1.00 0.00 H new ATOM 0 HA SER A 1 5.080 -9.770 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.689 -7.277 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.926 -8.835 9.070 1.00 0.00 H new ATOM 0 HG SER A 1 2.887 -7.031 10.821 1.00 0.00 H new ATOM 14 N MET A 2 5.138 -8.276 6.949 1.00 0.00 N ATOM 15 CA MET A 2 5.331 -8.505 5.521 1.00 0.00 C ATOM 16 C MET A 2 6.816 -8.603 5.191 1.00 0.00 C ATOM 17 O MET A 2 7.359 -7.773 4.463 1.00 0.00 O ATOM 18 CB MET A 2 4.687 -7.374 4.716 1.00 0.00 C ATOM 19 CG MET A 2 4.477 -7.714 3.251 1.00 0.00 C ATOM 20 SD MET A 2 3.351 -9.096 3.014 1.00 0.00 S ATOM 21 CE MET A 2 3.138 -9.035 1.240 1.00 0.00 C ATOM 0 H MET A 2 4.871 -7.321 7.189 1.00 0.00 H new ATOM 0 HA MET A 2 4.854 -9.448 5.253 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.725 -7.123 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.314 -6.485 4.788 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.086 -6.839 2.732 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.438 -7.952 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.141 -9.390 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.259 -8.008 0.894 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.885 -9.669 0.762 1.00 0.00 H new ATOM 31 N THR A 3 7.468 -9.628 5.734 1.00 0.00 N ATOM 32 CA THR A 3 8.894 -9.835 5.509 1.00 0.00 C ATOM 33 C THR A 3 9.162 -11.143 4.766 1.00 0.00 C ATOM 34 O THR A 3 10.165 -11.274 4.065 1.00 0.00 O ATOM 35 CB THR A 3 9.666 -9.848 6.843 1.00 0.00 C ATOM 36 OG1 THR A 3 9.486 -8.603 7.528 1.00 0.00 O ATOM 37 CG2 THR A 3 11.151 -10.092 6.615 1.00 0.00 C ATOM 0 H THR A 3 7.030 -10.328 6.333 1.00 0.00 H new ATOM 0 HA THR A 3 9.241 -9.004 4.895 1.00 0.00 H new ATOM 0 HB THR A 3 9.270 -10.661 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.979 -8.621 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.670 -10.096 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.290 -11.055 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.557 -9.300 5.985 1.00 0.00 H new ATOM 45 N ASP A 4 8.262 -12.107 4.925 1.00 0.00 N ATOM 46 CA ASP A 4 8.412 -13.408 4.277 1.00 0.00 C ATOM 47 C ASP A 4 8.137 -13.322 2.777 1.00 0.00 C ATOM 48 O ASP A 4 8.577 -14.176 2.010 1.00 0.00 O ATOM 49 CB ASP A 4 7.473 -14.428 4.923 1.00 0.00 C ATOM 50 CG ASP A 4 7.825 -14.702 6.370 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.414 -13.908 7.242 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.514 -15.710 6.634 1.00 0.00 O ATOM 0 H ASP A 4 7.422 -12.014 5.496 1.00 0.00 H new ATOM 0 HA ASP A 4 9.445 -13.730 4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.448 -14.062 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.511 -15.360 4.360 1.00 0.00 H new ATOM 57 N LEU A 5 7.408 -12.289 2.365 1.00 0.00 N ATOM 58 CA LEU A 5 7.077 -12.110 0.955 1.00 0.00 C ATOM 59 C LEU A 5 7.819 -10.923 0.358 1.00 0.00 C ATOM 60 O LEU A 5 8.673 -11.087 -0.513 1.00 0.00 O ATOM 61 CB LEU A 5 5.572 -11.924 0.784 1.00 0.00 C ATOM 62 CG LEU A 5 4.733 -13.120 1.207 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.398 -13.017 2.684 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.470 -13.215 0.364 1.00 0.00 C ATOM 0 H LEU A 5 7.037 -11.567 2.983 1.00 0.00 H new ATOM 0 HA LEU A 5 7.390 -13.008 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.259 -11.055 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.363 -11.703 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 5 5.308 -14.032 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.797 -13.876 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.320 -13.000 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.837 -12.101 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.884 -14.077 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.879 -12.308 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.741 -13.328 -0.686 1.00 0.00 H new ATOM 76 N LEU A 6 7.491 -9.728 0.831 1.00 0.00 N ATOM 77 CA LEU A 6 8.130 -8.520 0.334 1.00 0.00 C ATOM 78 C LEU A 6 9.548 -8.413 0.871 1.00 0.00 C ATOM 79 O LEU A 6 9.798 -8.676 2.049 1.00 0.00 O ATOM 80 CB LEU A 6 7.323 -7.288 0.737 1.00 0.00 C ATOM 81 CG LEU A 6 5.882 -7.265 0.228 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.197 -5.968 0.630 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.851 -7.439 -1.284 1.00 0.00 C ATOM 0 H LEU A 6 6.790 -9.571 1.555 1.00 0.00 H new ATOM 0 HA LEU A 6 8.170 -8.573 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.309 -7.221 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.837 -6.400 0.369 1.00 0.00 H new ATOM 0 HG LEU A 6 5.341 -8.095 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.172 -5.968 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.190 -5.882 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.737 -5.123 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.818 -7.420 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.407 -6.628 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.306 -8.393 -1.550 1.00 0.00 H new ATOM 95 N SER A 7 10.475 -8.026 0.007 1.00 0.00 N ATOM 96 CA SER A 7 11.868 -7.897 0.402 1.00 0.00 C ATOM 97 C SER A 7 12.035 -6.805 1.451 1.00 0.00 C ATOM 98 O SER A 7 11.874 -5.621 1.157 1.00 0.00 O ATOM 99 CB SER A 7 12.737 -7.580 -0.815 1.00 0.00 C ATOM 100 OG SER A 7 12.543 -8.530 -1.847 1.00 0.00 O ATOM 0 H SER A 7 10.288 -7.797 -0.969 1.00 0.00 H new ATOM 0 HA SER A 7 12.186 -8.846 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.498 -6.583 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.787 -7.568 -0.522 1.00 0.00 H new ATOM 0 HG SER A 7 13.110 -8.301 -2.613 1.00 0.00 H new ATOM 106 N ALA A 8 12.363 -7.207 2.676 1.00 0.00 N ATOM 107 CA ALA A 8 12.563 -6.252 3.759 1.00 0.00 C ATOM 108 C ALA A 8 13.557 -5.178 3.337 1.00 0.00 C ATOM 109 O ALA A 8 13.526 -4.052 3.833 1.00 0.00 O ATOM 110 CB ALA A 8 13.047 -6.961 5.013 1.00 0.00 C ATOM 0 H ALA A 8 12.495 -8.183 2.942 1.00 0.00 H new ATOM 0 HA ALA A 8 11.608 -5.775 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.191 -6.232 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.306 -7.697 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.992 -7.463 4.805 1.00 0.00 H new ATOM 116 N GLU A 9 14.441 -5.546 2.417 1.00 0.00 N ATOM 117 CA GLU A 9 15.448 -4.633 1.903 1.00 0.00 C ATOM 118 C GLU A 9 14.798 -3.544 1.050 1.00 0.00 C ATOM 119 O GLU A 9 15.059 -2.356 1.237 1.00 0.00 O ATOM 120 CB GLU A 9 16.475 -5.425 1.081 1.00 0.00 C ATOM 121 CG GLU A 9 17.392 -4.567 0.227 1.00 0.00 C ATOM 122 CD GLU A 9 18.189 -3.570 1.042 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.570 -2.706 1.697 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.436 -3.657 1.030 1.00 0.00 O ATOM 0 H GLU A 9 14.478 -6.481 2.010 1.00 0.00 H new ATOM 0 HA GLU A 9 15.954 -4.147 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.084 -6.021 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.944 -6.123 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.078 -5.212 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.797 -4.032 -0.513 1.00 0.00 H new ATOM 131 N ASP A 10 13.936 -3.963 0.128 1.00 0.00 N ATOM 132 CA ASP A 10 13.242 -3.035 -0.763 1.00 0.00 C ATOM 133 C ASP A 10 12.407 -2.030 0.018 1.00 0.00 C ATOM 134 O ASP A 10 12.533 -0.819 -0.163 1.00 0.00 O ATOM 135 CB ASP A 10 12.329 -3.821 -1.692 1.00 0.00 C ATOM 136 CG ASP A 10 13.097 -4.734 -2.628 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.032 -5.416 -2.157 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.764 -4.769 -3.831 1.00 0.00 O ATOM 0 H ASP A 10 13.700 -4.944 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 10 13.993 -2.488 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.636 -4.416 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.729 -3.126 -2.279 1.00 0.00 H new ATOM 143 N ILE A 11 11.553 -2.550 0.889 1.00 0.00 N ATOM 144 CA ILE A 11 10.685 -1.722 1.712 1.00 0.00 C ATOM 145 C ILE A 11 11.502 -0.731 2.517 1.00 0.00 C ATOM 146 O ILE A 11 11.248 0.467 2.463 1.00 0.00 O ATOM 147 CB ILE A 11 9.849 -2.609 2.659 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.894 -3.500 1.864 1.00 0.00 C ATOM 149 CG2 ILE A 11 9.072 -1.767 3.663 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.555 -4.795 2.571 1.00 0.00 C ATOM 0 H ILE A 11 11.443 -3.552 1.044 1.00 0.00 H new ATOM 0 HA ILE A 11 10.013 -1.168 1.057 1.00 0.00 H new ATOM 0 HB ILE A 11 10.541 -3.244 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.974 -2.950 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.342 -3.729 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.493 -2.421 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.768 -1.180 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.397 -1.096 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.874 -5.380 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.468 -5.365 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.079 -4.574 3.526 1.00 0.00 H new ATOM 162 N LYS A 12 12.484 -1.219 3.252 1.00 0.00 N ATOM 163 CA LYS A 12 13.314 -0.336 4.049 1.00 0.00 C ATOM 164 C LYS A 12 14.011 0.684 3.151 1.00 0.00 C ATOM 165 O LYS A 12 14.257 1.820 3.561 1.00 0.00 O ATOM 166 CB LYS A 12 14.348 -1.131 4.846 1.00 0.00 C ATOM 167 CG LYS A 12 15.249 -0.260 5.705 1.00 0.00 C ATOM 168 CD LYS A 12 16.208 -1.096 6.537 1.00 0.00 C ATOM 169 CE LYS A 12 17.171 -0.221 7.323 1.00 0.00 C ATOM 170 NZ LYS A 12 16.459 0.706 8.243 1.00 0.00 N ATOM 0 H LYS A 12 12.724 -2.208 3.314 1.00 0.00 H new ATOM 0 HA LYS A 12 12.672 0.192 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.831 -1.847 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.964 -1.707 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.816 0.418 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.638 0.358 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.642 -1.725 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.771 -1.763 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.848 -0.853 7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.784 0.356 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.146 1.161 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.965 1.434 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.767 0.172 8.807 1.00 0.00 H new ATOM 184 N LYS A 13 14.317 0.273 1.921 1.00 0.00 N ATOM 185 CA LYS A 13 14.980 1.157 0.966 1.00 0.00 C ATOM 186 C LYS A 13 14.033 2.244 0.492 1.00 0.00 C ATOM 187 O LYS A 13 14.331 3.429 0.584 1.00 0.00 O ATOM 188 CB LYS A 13 15.436 0.370 -0.259 1.00 0.00 C ATOM 189 CG LYS A 13 16.662 -0.491 -0.034 1.00 0.00 C ATOM 190 CD LYS A 13 16.706 -1.658 -1.013 1.00 0.00 C ATOM 191 CE LYS A 13 16.484 -1.206 -2.450 1.00 0.00 C ATOM 192 NZ LYS A 13 16.823 -2.276 -3.428 1.00 0.00 N ATOM 0 H LYS A 13 14.117 -0.662 1.565 1.00 0.00 H new ATOM 0 HA LYS A 13 15.836 1.602 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.616 -0.267 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.643 1.070 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.561 0.115 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.660 -0.871 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.671 -2.160 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.944 -2.388 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.443 -0.911 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.093 -0.324 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.658 -1.928 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.823 -2.540 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.225 -3.109 -3.253 1.00 0.00 H new ATOM 206 N ALA A 14 12.875 1.820 0.009 1.00 0.00 N ATOM 207 CA ALA A 14 11.874 2.744 -0.493 1.00 0.00 C ATOM 208 C ALA A 14 11.269 3.551 0.642 1.00 0.00 C ATOM 209 O ALA A 14 11.036 4.752 0.519 1.00 0.00 O ATOM 210 CB ALA A 14 10.800 1.974 -1.247 1.00 0.00 C ATOM 0 H ALA A 14 12.606 0.838 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 14 12.350 3.445 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.050 2.670 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.253 1.442 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.327 1.258 -0.575 1.00 0.00 H new ATOM 216 N ILE A 15 11.027 2.874 1.753 1.00 0.00 N ATOM 217 CA ILE A 15 10.456 3.497 2.929 1.00 0.00 C ATOM 218 C ILE A 15 11.295 4.700 3.391 1.00 0.00 C ATOM 219 O ILE A 15 10.759 5.778 3.647 1.00 0.00 O ATOM 220 CB ILE A 15 10.333 2.456 4.072 1.00 0.00 C ATOM 221 CG1 ILE A 15 9.149 1.537 3.790 1.00 0.00 C ATOM 222 CG2 ILE A 15 10.178 3.109 5.440 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.802 2.216 3.979 1.00 0.00 C ATOM 0 H ILE A 15 11.222 1.879 1.862 1.00 0.00 H new ATOM 0 HA ILE A 15 9.463 3.865 2.669 1.00 0.00 H new ATOM 0 HB ILE A 15 11.258 1.880 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.221 1.167 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.206 0.670 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.096 2.337 6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.048 3.733 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.279 3.725 5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.003 1.507 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.710 2.562 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.725 3.067 3.302 1.00 0.00 H new ATOM 235 N GLY A 16 12.609 4.500 3.498 1.00 0.00 N ATOM 236 CA GLY A 16 13.487 5.562 3.972 1.00 0.00 C ATOM 237 C GLY A 16 14.158 6.390 2.881 1.00 0.00 C ATOM 238 O GLY A 16 14.297 7.602 3.035 1.00 0.00 O ATOM 0 H GLY A 16 13.080 3.626 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.909 6.231 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.262 5.118 4.597 1.00 0.00 H new ATOM 242 N ALA A 17 14.583 5.745 1.791 1.00 0.00 N ATOM 243 CA ALA A 17 15.273 6.443 0.691 1.00 0.00 C ATOM 244 C ALA A 17 14.716 7.841 0.434 1.00 0.00 C ATOM 245 O ALA A 17 15.472 8.791 0.230 1.00 0.00 O ATOM 246 CB ALA A 17 15.207 5.624 -0.590 1.00 0.00 C ATOM 0 H ALA A 17 14.464 4.743 1.642 1.00 0.00 H new ATOM 0 HA ALA A 17 16.311 6.557 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.722 6.157 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.687 4.658 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.165 5.469 -0.870 1.00 0.00 H new ATOM 252 N PHE A 18 13.396 7.964 0.447 1.00 0.00 N ATOM 253 CA PHE A 18 12.749 9.246 0.204 1.00 0.00 C ATOM 254 C PHE A 18 11.939 9.697 1.413 1.00 0.00 C ATOM 255 O PHE A 18 11.380 8.872 2.136 1.00 0.00 O ATOM 256 CB PHE A 18 11.830 9.135 -1.005 1.00 0.00 C ATOM 257 CG PHE A 18 10.718 8.143 -0.812 1.00 0.00 C ATOM 258 CD1 PHE A 18 9.704 8.382 0.104 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.687 6.968 -1.547 1.00 0.00 C ATOM 260 CE1 PHE A 18 8.687 7.473 0.284 1.00 0.00 C ATOM 261 CE2 PHE A 18 9.668 6.052 -1.368 1.00 0.00 C ATOM 262 CZ PHE A 18 8.667 6.308 -0.449 1.00 0.00 C ATOM 0 H PHE A 18 12.753 7.192 0.623 1.00 0.00 H new ATOM 0 HA PHE A 18 13.527 9.986 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.402 10.114 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 18 12.419 8.847 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 18 9.713 9.293 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.467 6.767 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.904 7.674 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.653 5.139 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.869 5.594 -0.306 1.00 0.00 H new ATOM 272 N THR A 19 11.878 11.006 1.629 1.00 0.00 N ATOM 273 CA THR A 19 11.120 11.555 2.745 1.00 0.00 C ATOM 274 C THR A 19 9.688 11.937 2.349 1.00 0.00 C ATOM 275 O THR A 19 8.731 11.561 3.025 1.00 0.00 O ATOM 276 CB THR A 19 11.817 12.797 3.333 1.00 0.00 C ATOM 277 OG1 THR A 19 13.163 12.476 3.703 1.00 0.00 O ATOM 278 CG2 THR A 19 11.063 13.315 4.547 1.00 0.00 C ATOM 0 H THR A 19 12.343 11.704 1.048 1.00 0.00 H new ATOM 0 HA THR A 19 11.074 10.765 3.494 1.00 0.00 H new ATOM 0 HB THR A 19 11.827 13.576 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.599 13.271 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.573 14.192 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.048 13.587 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.026 12.538 5.311 1.00 0.00 H new ATOM 286 N ALA A 20 9.549 12.689 1.253 1.00 0.00 N ATOM 287 CA ALA A 20 8.244 13.153 0.795 1.00 0.00 C ATOM 288 C ALA A 20 7.630 12.314 -0.331 1.00 0.00 C ATOM 289 O ALA A 20 6.452 12.474 -0.635 1.00 0.00 O ATOM 290 CB ALA A 20 8.341 14.606 0.359 1.00 0.00 C ATOM 0 H ALA A 20 10.329 12.988 0.668 1.00 0.00 H new ATOM 0 HA ALA A 20 7.573 13.044 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.364 14.949 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.667 15.217 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.061 14.695 -0.454 1.00 0.00 H new ATOM 296 N ALA A 21 8.405 11.435 -0.970 1.00 0.00 N ATOM 297 CA ALA A 21 7.856 10.631 -2.073 1.00 0.00 C ATOM 298 C ALA A 21 6.506 10.025 -1.704 1.00 0.00 C ATOM 299 O ALA A 21 5.571 10.039 -2.500 1.00 0.00 O ATOM 300 CB ALA A 21 8.826 9.553 -2.517 1.00 0.00 C ATOM 0 H ALA A 21 9.387 11.262 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 21 7.702 11.307 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.385 8.980 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.753 10.015 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.038 8.888 -1.680 1.00 0.00 H new ATOM 306 N ASP A 22 6.415 9.489 -0.495 1.00 0.00 N ATOM 307 CA ASP A 22 5.162 8.915 -0.018 1.00 0.00 C ATOM 308 C ASP A 22 4.167 10.039 0.222 1.00 0.00 C ATOM 309 O ASP A 22 2.959 9.877 0.044 1.00 0.00 O ATOM 310 CB ASP A 22 5.375 8.125 1.274 1.00 0.00 C ATOM 311 CG ASP A 22 5.967 8.977 2.380 1.00 0.00 C ATOM 312 OD1 ASP A 22 7.191 9.223 2.351 1.00 0.00 O ATOM 313 OD2 ASP A 22 5.205 9.400 3.275 1.00 0.00 O ATOM 0 H ASP A 22 7.187 9.439 0.170 1.00 0.00 H new ATOM 0 HA ASP A 22 4.778 8.227 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.422 7.713 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.035 7.281 1.076 1.00 0.00 H new ATOM 318 N SER A 23 4.703 11.183 0.635 1.00 0.00 N ATOM 319 CA SER A 23 3.907 12.367 0.896 1.00 0.00 C ATOM 320 C SER A 23 3.365 12.946 -0.407 1.00 0.00 C ATOM 321 O SER A 23 2.309 13.578 -0.431 1.00 0.00 O ATOM 322 CB SER A 23 4.760 13.411 1.624 1.00 0.00 C ATOM 323 OG SER A 23 4.160 14.693 1.567 1.00 0.00 O ATOM 0 H SER A 23 5.702 11.311 0.797 1.00 0.00 H new ATOM 0 HA SER A 23 3.061 12.091 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.893 13.115 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.752 13.451 1.175 1.00 0.00 H new ATOM 0 HG SER A 23 4.724 15.340 2.040 1.00 0.00 H new ATOM 329 N PHE A 24 4.102 12.721 -1.490 1.00 0.00 N ATOM 330 CA PHE A 24 3.716 13.215 -2.807 1.00 0.00 C ATOM 331 C PHE A 24 2.972 12.149 -3.606 1.00 0.00 C ATOM 332 O PHE A 24 1.853 12.376 -4.067 1.00 0.00 O ATOM 333 CB PHE A 24 4.954 13.674 -3.577 1.00 0.00 C ATOM 334 CG PHE A 24 4.658 14.141 -4.972 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.166 15.417 -5.200 1.00 0.00 C ATOM 336 CD2 PHE A 24 4.874 13.307 -6.056 1.00 0.00 C ATOM 337 CE1 PHE A 24 3.894 15.850 -6.485 1.00 0.00 C ATOM 338 CE2 PHE A 24 4.606 13.735 -7.343 1.00 0.00 C ATOM 339 CZ PHE A 24 4.115 15.008 -7.557 1.00 0.00 C ATOM 0 H PHE A 24 4.976 12.196 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 24 3.043 14.060 -2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.434 14.483 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.668 12.852 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.993 16.080 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.256 12.310 -5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.509 16.846 -6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.780 13.075 -8.180 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.904 15.345 -8.561 1.00 0.00 H new ATOM 349 N ASP A 25 3.602 10.987 -3.774 1.00 0.00 N ATOM 350 CA ASP A 25 2.997 9.895 -4.531 1.00 0.00 C ATOM 351 C ASP A 25 3.689 8.563 -4.231 1.00 0.00 C ATOM 352 O ASP A 25 4.799 8.311 -4.702 1.00 0.00 O ATOM 353 CB ASP A 25 3.072 10.203 -6.029 1.00 0.00 C ATOM 354 CG ASP A 25 2.160 9.320 -6.858 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.143 8.839 -6.316 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.459 9.120 -8.054 1.00 0.00 O ATOM 0 H ASP A 25 4.527 10.779 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 25 1.953 9.805 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.807 11.247 -6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.100 10.077 -6.370 1.00 0.00 H new ATOM 361 N HIS A 26 3.028 7.716 -3.443 1.00 0.00 N ATOM 362 CA HIS A 26 3.575 6.407 -3.084 1.00 0.00 C ATOM 363 C HIS A 26 3.682 5.487 -4.304 1.00 0.00 C ATOM 364 O HIS A 26 4.281 4.414 -4.225 1.00 0.00 O ATOM 365 CB HIS A 26 2.721 5.747 -2.003 1.00 0.00 C ATOM 366 CG HIS A 26 3.476 5.425 -0.752 1.00 0.00 C ATOM 367 ND1 HIS A 26 4.717 5.783 -0.349 1.00 0.00 N flip ATOM 368 CD2 HIS A 26 2.956 4.645 0.262 1.00 0.00 C flip ATOM 369 CE1 HIS A 26 4.922 5.220 0.887 1.00 0.00 C flip ATOM 370 NE2 HIS A 26 3.844 4.540 1.234 1.00 0.00 N flip ATOM 0 H HIS A 26 2.112 7.913 -3.040 1.00 0.00 H new ATOM 0 HA HIS A 26 4.580 6.568 -2.695 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.890 6.408 -1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.290 4.829 -2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.976 4.191 0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.820 5.318 1.480 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.719 4.022 2.104 1.00 0.00 H new ATOM 379 N LYS A 27 3.102 5.906 -5.433 1.00 0.00 N ATOM 380 CA LYS A 27 3.145 5.127 -6.664 1.00 0.00 C ATOM 381 C LYS A 27 4.545 4.593 -6.909 1.00 0.00 C ATOM 382 O LYS A 27 4.754 3.389 -7.055 1.00 0.00 O ATOM 383 CB LYS A 27 2.743 6.026 -7.832 1.00 0.00 C ATOM 384 CG LYS A 27 1.372 5.734 -8.427 1.00 0.00 C ATOM 385 CD LYS A 27 0.292 5.515 -7.379 1.00 0.00 C ATOM 386 CE LYS A 27 -0.803 4.616 -7.922 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.719 4.136 -6.852 1.00 0.00 N ATOM 0 H LYS A 27 2.595 6.787 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 27 2.458 4.285 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.763 7.063 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.492 5.931 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.080 6.563 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.440 4.848 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.729 5.067 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.132 6.474 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.377 5.159 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.352 3.759 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.388 3.447 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.164 3.684 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.246 4.942 -6.459 1.00 0.00 H new ATOM 401 N LYS A 28 5.497 5.507 -6.954 1.00 0.00 N ATOM 402 CA LYS A 28 6.887 5.134 -7.161 1.00 0.00 C ATOM 403 C LYS A 28 7.333 4.208 -6.044 1.00 0.00 C ATOM 404 O LYS A 28 7.919 3.152 -6.287 1.00 0.00 O ATOM 405 CB LYS A 28 7.782 6.374 -7.185 1.00 0.00 C ATOM 406 CG LYS A 28 7.777 7.130 -8.508 1.00 0.00 C ATOM 407 CD LYS A 28 6.431 7.777 -8.799 1.00 0.00 C ATOM 408 CE LYS A 28 5.567 6.898 -9.691 1.00 0.00 C ATOM 409 NZ LYS A 28 4.272 7.550 -10.029 1.00 0.00 N ATOM 0 H LYS A 28 5.336 6.509 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 28 6.973 4.625 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.464 7.052 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.804 6.073 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.550 7.898 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.030 6.444 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.909 7.969 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.587 8.742 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.109 6.670 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.375 5.949 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.589 6.828 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.903 8.044 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.418 8.235 -10.798 1.00 0.00 H new ATOM 423 N PHE A 29 7.050 4.616 -4.811 1.00 0.00 N ATOM 424 CA PHE A 29 7.391 3.818 -3.640 1.00 0.00 C ATOM 425 C PHE A 29 6.908 2.385 -3.827 1.00 0.00 C ATOM 426 O PHE A 29 7.581 1.434 -3.440 1.00 0.00 O ATOM 427 CB PHE A 29 6.759 4.429 -2.389 1.00 0.00 C ATOM 428 CG PHE A 29 6.815 3.537 -1.180 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.022 3.210 -0.588 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.651 3.019 -0.648 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.065 2.381 0.517 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.688 2.189 0.455 1.00 0.00 C ATOM 433 CZ PHE A 29 6.895 1.869 1.037 1.00 0.00 C ATOM 0 H PHE A 29 6.584 5.498 -4.597 1.00 0.00 H new ATOM 0 HA PHE A 29 8.474 3.811 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.264 5.367 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.718 4.672 -2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.941 3.607 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.701 3.266 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.013 2.135 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.770 1.791 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.925 1.219 1.899 1.00 0.00 H new ATOM 443 N PHE A 30 5.727 2.253 -4.417 1.00 0.00 N ATOM 444 CA PHE A 30 5.130 0.952 -4.679 1.00 0.00 C ATOM 445 C PHE A 30 6.053 0.105 -5.541 1.00 0.00 C ATOM 446 O PHE A 30 6.097 -1.120 -5.418 1.00 0.00 O ATOM 447 CB PHE A 30 3.793 1.143 -5.371 1.00 0.00 C ATOM 448 CG PHE A 30 2.697 0.374 -4.710 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.090 0.854 -3.560 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.291 -0.835 -5.225 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.087 0.136 -2.940 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.290 -1.560 -4.611 1.00 0.00 C ATOM 453 CZ PHE A 30 0.686 -1.075 -3.467 1.00 0.00 C ATOM 0 H PHE A 30 5.159 3.042 -4.726 1.00 0.00 H new ATOM 0 HA PHE A 30 4.977 0.432 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.538 2.203 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.877 0.830 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.405 1.800 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.760 -1.221 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.618 0.520 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.978 -2.508 -5.025 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.098 -1.642 -2.986 1.00 0.00 H new ATOM 463 N GLN A 31 6.781 0.773 -6.416 1.00 0.00 N ATOM 464 CA GLN A 31 7.727 0.111 -7.306 1.00 0.00 C ATOM 465 C GLN A 31 9.069 -0.109 -6.603 1.00 0.00 C ATOM 466 O GLN A 31 9.702 -1.153 -6.769 1.00 0.00 O ATOM 467 CB GLN A 31 7.913 0.939 -8.582 1.00 0.00 C ATOM 468 CG GLN A 31 6.657 1.682 -9.023 1.00 0.00 C ATOM 469 CD GLN A 31 6.813 2.331 -10.385 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.557 1.845 -11.235 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.112 3.440 -10.593 1.00 0.00 N ATOM 0 H GLN A 31 6.737 1.785 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 31 7.326 -0.865 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.713 1.661 -8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.235 0.280 -9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.818 0.987 -9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.414 2.447 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.507 3.806 -9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.178 3.925 -11.488 1.00 0.00 H new ATOM 480 N MET A 32 9.495 0.878 -5.820 1.00 0.00 N ATOM 481 CA MET A 32 10.756 0.790 -5.085 1.00 0.00 C ATOM 482 C MET A 32 10.652 -0.198 -3.925 1.00 0.00 C ATOM 483 O MET A 32 11.608 -0.905 -3.606 1.00 0.00 O ATOM 484 CB MET A 32 11.152 2.165 -4.558 1.00 0.00 C ATOM 485 CG MET A 32 11.277 3.205 -5.652 1.00 0.00 C ATOM 486 SD MET A 32 12.279 2.643 -7.042 1.00 0.00 S ATOM 487 CE MET A 32 13.828 2.277 -6.219 1.00 0.00 C ATOM 0 H MET A 32 8.986 1.750 -5.677 1.00 0.00 H new ATOM 0 HA MET A 32 11.522 0.430 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.410 2.497 -3.832 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.102 2.086 -4.030 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.282 3.469 -6.011 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.717 4.111 -5.236 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.601 2.089 -6.965 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.120 3.125 -5.600 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.707 1.394 -5.592 1.00 0.00 H new ATOM 497 N VAL A 33 9.480 -0.236 -3.304 1.00 0.00 N ATOM 498 CA VAL A 33 9.226 -1.130 -2.173 1.00 0.00 C ATOM 499 C VAL A 33 9.290 -2.589 -2.598 1.00 0.00 C ATOM 500 O VAL A 33 9.545 -3.475 -1.782 1.00 0.00 O ATOM 501 CB VAL A 33 7.841 -0.857 -1.554 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.761 -1.001 -2.606 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.563 -1.802 -0.404 1.00 0.00 C ATOM 0 H VAL A 33 8.683 0.345 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 33 10.003 -0.935 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 33 7.839 0.163 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.787 -0.806 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.939 -0.287 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.778 -2.014 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.580 -1.587 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.587 -2.830 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.322 -1.670 0.367 1.00 0.00 H new ATOM 513 N GLY A 34 9.050 -2.830 -3.873 1.00 0.00 N ATOM 514 CA GLY A 34 9.088 -4.182 -4.392 1.00 0.00 C ATOM 515 C GLY A 34 7.757 -4.900 -4.270 1.00 0.00 C ATOM 516 O GLY A 34 7.710 -6.130 -4.271 1.00 0.00 O ATOM 0 H GLY A 34 8.828 -2.112 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.386 -4.155 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.851 -4.749 -3.859 1.00 0.00 H new ATOM 520 N LEU A 35 6.672 -4.138 -4.171 1.00 0.00 N ATOM 521 CA LEU A 35 5.343 -4.731 -4.066 1.00 0.00 C ATOM 522 C LEU A 35 4.970 -5.358 -5.403 1.00 0.00 C ATOM 523 O LEU A 35 4.315 -6.396 -5.460 1.00 0.00 O ATOM 524 CB LEU A 35 4.300 -3.682 -3.652 1.00 0.00 C ATOM 525 CG LEU A 35 3.849 -3.752 -2.183 1.00 0.00 C ATOM 526 CD1 LEU A 35 4.849 -3.065 -1.268 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.469 -3.132 -2.024 1.00 0.00 C ATOM 0 H LEU A 35 6.686 -3.118 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 35 5.358 -5.500 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.710 -2.690 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.423 -3.793 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 35 3.798 -4.802 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.503 -3.131 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.819 -3.554 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.943 -2.017 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.163 -3.189 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.501 -2.088 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.753 -3.674 -2.642 1.00 0.00 H new ATOM 539 N LYS A 36 5.415 -4.724 -6.480 1.00 0.00 N ATOM 540 CA LYS A 36 5.151 -5.221 -7.824 1.00 0.00 C ATOM 541 C LYS A 36 6.042 -6.426 -8.146 1.00 0.00 C ATOM 542 O LYS A 36 5.834 -7.107 -9.152 1.00 0.00 O ATOM 543 CB LYS A 36 5.400 -4.120 -8.852 1.00 0.00 C ATOM 544 CG LYS A 36 4.396 -2.976 -8.799 1.00 0.00 C ATOM 545 CD LYS A 36 5.097 -1.625 -8.839 1.00 0.00 C ATOM 546 CE LYS A 36 6.093 -1.540 -9.982 1.00 0.00 C ATOM 547 NZ LYS A 36 5.483 -1.947 -11.278 1.00 0.00 N ATOM 0 H LYS A 36 5.961 -3.863 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 36 4.107 -5.532 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.401 -3.717 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.381 -4.559 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.706 -3.055 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.801 -3.053 -7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.355 -0.833 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.613 -1.455 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.469 -0.520 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.949 -2.179 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.134 -1.717 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.301 -2.971 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.587 -1.438 -11.415 1.00 0.00 H new ATOM 561 N LYS A 37 7.036 -6.685 -7.290 1.00 0.00 N ATOM 562 CA LYS A 37 7.959 -7.800 -7.489 1.00 0.00 C ATOM 563 C LYS A 37 7.211 -9.072 -7.878 1.00 0.00 C ATOM 564 O LYS A 37 7.504 -9.685 -8.905 1.00 0.00 O ATOM 565 CB LYS A 37 8.787 -8.035 -6.219 1.00 0.00 C ATOM 566 CG LYS A 37 9.993 -8.937 -6.423 1.00 0.00 C ATOM 567 CD LYS A 37 9.596 -10.402 -6.522 1.00 0.00 C ATOM 568 CE LYS A 37 10.819 -11.304 -6.503 1.00 0.00 C ATOM 569 NZ LYS A 37 11.559 -11.211 -5.215 1.00 0.00 N ATOM 0 H LYS A 37 7.220 -6.134 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 37 8.631 -7.542 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.127 -7.073 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.144 -8.473 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.518 -8.641 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.689 -8.805 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.937 -10.660 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.032 -10.568 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.511 -12.336 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.483 -11.032 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.160 -12.052 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.153 -10.358 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.881 -11.159 -4.428 1.00 0.00 H new ATOM 583 N LYS A 38 6.248 -9.464 -7.056 1.00 0.00 N ATOM 584 CA LYS A 38 5.461 -10.659 -7.326 1.00 0.00 C ATOM 585 C LYS A 38 4.028 -10.292 -7.695 1.00 0.00 C ATOM 586 O LYS A 38 3.708 -9.117 -7.880 1.00 0.00 O ATOM 587 CB LYS A 38 5.472 -11.588 -6.113 1.00 0.00 C ATOM 588 CG LYS A 38 6.140 -12.927 -6.381 1.00 0.00 C ATOM 589 CD LYS A 38 6.250 -13.755 -5.111 1.00 0.00 C ATOM 590 CE LYS A 38 7.284 -13.178 -4.159 1.00 0.00 C ATOM 591 NZ LYS A 38 8.666 -13.295 -4.701 1.00 0.00 N ATOM 0 H LYS A 38 5.993 -8.974 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 38 5.911 -11.179 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.987 -11.092 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.446 -11.761 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.568 -13.478 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.134 -12.763 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.280 -13.795 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.520 -14.780 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.057 -12.129 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.225 -13.696 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.343 -12.905 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.887 -14.296 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.735 -12.765 -5.593 1.00 0.00 H new ATOM 605 N SER A 39 3.170 -11.299 -7.805 1.00 0.00 N ATOM 606 CA SER A 39 1.775 -11.071 -8.162 1.00 0.00 C ATOM 607 C SER A 39 1.009 -10.432 -7.008 1.00 0.00 C ATOM 608 O SER A 39 1.528 -10.308 -5.898 1.00 0.00 O ATOM 609 CB SER A 39 1.108 -12.387 -8.565 1.00 0.00 C ATOM 610 OG SER A 39 1.768 -12.976 -9.671 1.00 0.00 O ATOM 0 H SER A 39 3.414 -12.278 -7.653 1.00 0.00 H new ATOM 0 HA SER A 39 1.754 -10.385 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.119 -13.077 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.063 -12.207 -8.815 1.00 0.00 H new ATOM 0 HG SER A 39 1.323 -13.817 -9.908 1.00 0.00 H new ATOM 616 N ALA A 40 -0.225 -10.023 -7.277 1.00 0.00 N ATOM 617 CA ALA A 40 -1.063 -9.401 -6.262 1.00 0.00 C ATOM 618 C ALA A 40 -1.205 -10.304 -5.038 1.00 0.00 C ATOM 619 O ALA A 40 -1.425 -9.828 -3.924 1.00 0.00 O ATOM 620 CB ALA A 40 -2.427 -9.078 -6.846 1.00 0.00 C ATOM 0 H ALA A 40 -0.667 -10.112 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.586 -8.476 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.049 -8.613 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.310 -8.393 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.902 -9.996 -7.191 1.00 0.00 H new ATOM 626 N ASP A 41 -1.077 -11.610 -5.256 1.00 0.00 N ATOM 627 CA ASP A 41 -1.188 -12.580 -4.172 1.00 0.00 C ATOM 628 C ASP A 41 -0.101 -12.356 -3.126 1.00 0.00 C ATOM 629 O ASP A 41 -0.352 -12.454 -1.925 1.00 0.00 O ATOM 630 CB ASP A 41 -1.100 -14.004 -4.720 1.00 0.00 C ATOM 631 CG ASP A 41 -2.232 -14.330 -5.673 1.00 0.00 C ATOM 632 OD1 ASP A 41 -2.163 -13.905 -6.846 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.189 -15.010 -5.249 1.00 0.00 O ATOM 0 H ASP A 41 -0.897 -12.020 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.159 -12.442 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.148 -14.134 -5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.113 -14.711 -3.890 1.00 0.00 H new ATOM 638 N ASP A 42 1.110 -12.060 -3.591 1.00 0.00 N ATOM 639 CA ASP A 42 2.233 -11.822 -2.692 1.00 0.00 C ATOM 640 C ASP A 42 1.992 -10.573 -1.853 1.00 0.00 C ATOM 641 O ASP A 42 2.072 -10.619 -0.630 1.00 0.00 O ATOM 642 CB ASP A 42 3.532 -11.677 -3.489 1.00 0.00 C ATOM 643 CG ASP A 42 4.748 -11.518 -2.598 1.00 0.00 C ATOM 644 OD1 ASP A 42 5.059 -10.369 -2.219 1.00 0.00 O ATOM 645 OD2 ASP A 42 5.389 -12.540 -2.282 1.00 0.00 O ATOM 0 H ASP A 42 1.337 -11.980 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 42 2.324 -12.678 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.664 -12.553 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.454 -10.813 -4.149 1.00 0.00 H new ATOM 650 N VAL A 43 1.689 -9.466 -2.523 1.00 0.00 N ATOM 651 CA VAL A 43 1.422 -8.197 -1.845 1.00 0.00 C ATOM 652 C VAL A 43 0.217 -8.319 -0.922 1.00 0.00 C ATOM 653 O VAL A 43 0.179 -7.740 0.160 1.00 0.00 O ATOM 654 CB VAL A 43 1.153 -7.070 -2.859 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.403 -6.756 -3.660 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.002 -7.452 -3.778 1.00 0.00 C ATOM 0 H VAL A 43 1.621 -9.420 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 43 2.309 -7.953 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 43 0.873 -6.171 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.189 -5.957 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.198 -6.438 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.721 -7.647 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.178 -6.647 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.255 -8.364 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.897 -7.619 -3.185 1.00 0.00 H new ATOM 666 N LYS A 44 -0.754 -9.103 -1.357 1.00 0.00 N ATOM 667 CA LYS A 44 -1.979 -9.325 -0.612 1.00 0.00 C ATOM 668 C LYS A 44 -1.694 -9.716 0.837 1.00 0.00 C ATOM 669 O LYS A 44 -2.517 -9.500 1.724 1.00 0.00 O ATOM 670 CB LYS A 44 -2.798 -10.406 -1.302 1.00 0.00 C ATOM 671 CG LYS A 44 -4.030 -10.828 -0.521 1.00 0.00 C ATOM 672 CD LYS A 44 -4.756 -11.978 -1.198 1.00 0.00 C ATOM 673 CE LYS A 44 -5.865 -12.531 -0.317 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.338 -13.068 0.969 1.00 0.00 N ATOM 0 H LYS A 44 -0.713 -9.606 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.544 -8.393 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.106 -10.046 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.166 -11.279 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.739 -11.124 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.706 -9.979 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.177 -11.638 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.046 -12.771 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.591 -11.745 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.393 -13.321 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.025 -13.735 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.438 -13.560 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.183 -12.284 1.635 1.00 0.00 H new ATOM 688 N LYS A 45 -0.538 -10.307 1.082 1.00 0.00 N ATOM 689 CA LYS A 45 -0.203 -10.759 2.418 1.00 0.00 C ATOM 690 C LYS A 45 -0.228 -9.599 3.398 1.00 0.00 C ATOM 691 O LYS A 45 -0.826 -9.705 4.469 1.00 0.00 O ATOM 692 CB LYS A 45 1.155 -11.456 2.426 1.00 0.00 C ATOM 693 CG LYS A 45 1.043 -12.962 2.247 1.00 0.00 C ATOM 694 CD LYS A 45 0.403 -13.316 0.915 1.00 0.00 C ATOM 695 CE LYS A 45 0.242 -14.818 0.752 1.00 0.00 C ATOM 696 NZ LYS A 45 -0.558 -15.415 1.858 1.00 0.00 N ATOM 0 H LYS A 45 0.179 -10.484 0.378 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.954 -11.483 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.775 -11.045 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.663 -11.243 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.034 -13.412 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.452 -13.384 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.572 -12.835 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.014 -12.925 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.242 -15.030 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.225 -15.287 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.860 -16.373 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.023 -15.464 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.396 -14.825 2.038 1.00 0.00 H new ATOM 710 N VAL A 46 0.402 -8.485 3.036 1.00 0.00 N ATOM 711 CA VAL A 46 0.410 -7.330 3.907 1.00 0.00 C ATOM 712 C VAL A 46 -1.014 -6.841 4.118 1.00 0.00 C ATOM 713 O VAL A 46 -1.333 -6.245 5.147 1.00 0.00 O ATOM 714 CB VAL A 46 1.300 -6.184 3.370 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.652 -5.439 2.214 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.661 -5.231 4.493 1.00 0.00 C ATOM 0 H VAL A 46 0.905 -8.365 2.157 1.00 0.00 H new ATOM 0 HA VAL A 46 0.841 -7.640 4.859 1.00 0.00 H new ATOM 0 HB VAL A 46 2.212 -6.635 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.317 -4.645 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.465 -6.132 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.292 -5.005 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.287 -4.429 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.751 -4.807 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.205 -5.771 5.268 1.00 0.00 H new ATOM 726 N PHE A 47 -1.871 -7.101 3.132 1.00 0.00 N ATOM 727 CA PHE A 47 -3.262 -6.705 3.227 1.00 0.00 C ATOM 728 C PHE A 47 -3.955 -7.531 4.299 1.00 0.00 C ATOM 729 O PHE A 47 -4.862 -7.058 4.969 1.00 0.00 O ATOM 730 CB PHE A 47 -3.977 -6.863 1.884 1.00 0.00 C ATOM 731 CG PHE A 47 -5.476 -6.757 1.965 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.090 -5.562 2.298 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.269 -7.863 1.702 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.468 -5.471 2.369 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.645 -7.780 1.771 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.246 -6.582 2.105 1.00 0.00 C ATOM 0 H PHE A 47 -1.623 -7.581 2.267 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.304 -5.651 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.607 -6.102 1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.715 -7.832 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.486 -4.691 2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.804 -8.802 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.935 -4.533 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.251 -8.650 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.322 -6.514 2.160 1.00 0.00 H new ATOM 746 N HIS A 48 -3.519 -8.776 4.451 1.00 0.00 N ATOM 747 CA HIS A 48 -4.093 -9.658 5.456 1.00 0.00 C ATOM 748 C HIS A 48 -3.604 -9.246 6.834 1.00 0.00 C ATOM 749 O HIS A 48 -4.318 -9.382 7.829 1.00 0.00 O ATOM 750 CB HIS A 48 -3.721 -11.115 5.177 1.00 0.00 C ATOM 751 CG HIS A 48 -4.395 -12.086 6.096 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.299 -12.250 7.437 1.00 0.00 N flip ATOM 753 CD2 HIS A 48 -5.290 -13.039 5.658 1.00 0.00 C flip ATOM 754 CE1 HIS A 48 -5.130 -13.287 7.780 1.00 0.00 C flip ATOM 755 NE2 HIS A 48 -5.716 -13.746 6.690 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.774 -9.194 3.894 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.179 -9.573 5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.983 -11.359 4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.641 -11.230 5.267 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.595 -13.185 4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.280 -13.666 8.780 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.384 -14.516 6.651 1.00 0.00 H new ATOM 764 N ILE A 49 -2.376 -8.744 6.880 1.00 0.00 N ATOM 765 CA ILE A 49 -1.782 -8.285 8.125 1.00 0.00 C ATOM 766 C ILE A 49 -2.478 -7.022 8.596 1.00 0.00 C ATOM 767 O ILE A 49 -2.879 -6.902 9.753 1.00 0.00 O ATOM 768 CB ILE A 49 -0.285 -7.951 7.957 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.466 -9.067 7.221 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.351 -7.681 9.311 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.068 -10.465 7.633 1.00 0.00 C ATOM 0 H ILE A 49 -1.772 -8.645 6.064 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.895 -9.094 8.847 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.212 -7.051 7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.298 -8.956 6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.535 -8.942 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.407 -7.447 9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.150 -6.838 9.787 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.253 -8.564 9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.648 -11.191 7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.262 -10.600 8.697 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.994 -10.614 7.436 1.00 0.00 H new ATOM 783 N LEU A 50 -2.609 -6.079 7.672 1.00 0.00 N ATOM 784 CA LEU A 50 -3.220 -4.801 7.954 1.00 0.00 C ATOM 785 C LEU A 50 -4.748 -4.856 7.897 1.00 0.00 C ATOM 786 O LEU A 50 -5.422 -4.301 8.767 1.00 0.00 O ATOM 787 CB LEU A 50 -2.675 -3.784 6.960 1.00 0.00 C ATOM 788 CG LEU A 50 -3.082 -4.007 5.505 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.371 -3.264 5.184 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.967 -3.567 4.570 1.00 0.00 C ATOM 0 H LEU A 50 -2.292 -6.185 6.708 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.969 -4.510 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.006 -2.791 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.587 -3.790 7.020 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.259 -5.073 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.641 -3.438 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.170 -3.625 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.226 -2.196 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.272 -3.732 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.761 -2.508 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.067 -4.145 4.779 1.00 0.00 H new ATOM 802 N ASP A 51 -5.299 -5.524 6.884 1.00 0.00 N ATOM 803 CA ASP A 51 -6.751 -5.619 6.740 1.00 0.00 C ATOM 804 C ASP A 51 -7.297 -6.884 7.396 1.00 0.00 C ATOM 805 O ASP A 51 -8.120 -7.588 6.810 1.00 0.00 O ATOM 806 CB ASP A 51 -7.145 -5.601 5.270 1.00 0.00 C ATOM 807 CG ASP A 51 -8.614 -5.290 5.063 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.437 -6.226 5.144 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.943 -4.111 4.817 1.00 0.00 O ATOM 0 H ASP A 51 -4.768 -6.003 6.157 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.184 -4.754 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.543 -4.859 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.916 -6.569 4.825 1.00 0.00 H new ATOM 814 N LYS A 52 -6.840 -7.169 8.608 1.00 0.00 N ATOM 815 CA LYS A 52 -7.289 -8.353 9.331 1.00 0.00 C ATOM 816 C LYS A 52 -8.744 -8.212 9.778 1.00 0.00 C ATOM 817 O LYS A 52 -9.570 -9.086 9.515 1.00 0.00 O ATOM 818 CB LYS A 52 -6.390 -8.593 10.544 1.00 0.00 C ATOM 819 CG LYS A 52 -6.587 -7.566 11.642 1.00 0.00 C ATOM 820 CD LYS A 52 -5.526 -7.660 12.717 1.00 0.00 C ATOM 821 CE LYS A 52 -5.860 -8.726 13.749 1.00 0.00 C ATOM 822 NZ LYS A 52 -6.049 -10.068 13.130 1.00 0.00 N ATOM 0 H LYS A 52 -6.160 -6.599 9.111 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.225 -9.207 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.588 -9.587 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.348 -8.580 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.573 -6.566 11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.570 -7.704 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.563 -7.887 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.424 -6.694 13.212 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.060 -8.778 14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.768 -8.442 14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.838 -10.807 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.033 -10.167 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.408 -10.169 12.317 1.00 0.00 H new ATOM 836 N ASP A 53 -9.053 -7.106 10.455 1.00 0.00 N ATOM 837 CA ASP A 53 -10.403 -6.860 10.948 1.00 0.00 C ATOM 838 C ASP A 53 -11.022 -5.628 10.291 1.00 0.00 C ATOM 839 O ASP A 53 -12.125 -5.216 10.650 1.00 0.00 O ATOM 840 CB ASP A 53 -10.389 -6.687 12.468 1.00 0.00 C ATOM 841 CG ASP A 53 -9.500 -5.543 12.913 1.00 0.00 C ATOM 842 OD1 ASP A 53 -8.298 -5.784 13.156 1.00 0.00 O ATOM 843 OD2 ASP A 53 -10.003 -4.404 13.019 1.00 0.00 O ATOM 0 H ASP A 53 -8.384 -6.367 10.673 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.013 -7.725 10.689 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.406 -6.511 12.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.046 -7.611 12.933 1.00 0.00 H new ATOM 848 N LYS A 54 -10.313 -5.040 9.326 1.00 0.00 N ATOM 849 CA LYS A 54 -10.809 -3.856 8.640 1.00 0.00 C ATOM 850 C LYS A 54 -12.120 -4.134 7.902 1.00 0.00 C ATOM 851 O LYS A 54 -12.796 -3.202 7.470 1.00 0.00 O ATOM 852 CB LYS A 54 -9.761 -3.327 7.678 1.00 0.00 C ATOM 853 CG LYS A 54 -10.225 -2.118 6.890 1.00 0.00 C ATOM 854 CD LYS A 54 -10.671 -0.993 7.810 1.00 0.00 C ATOM 855 CE LYS A 54 -9.587 -0.635 8.815 1.00 0.00 C ATOM 856 NZ LYS A 54 -8.334 -0.187 8.145 1.00 0.00 N ATOM 0 H LYS A 54 -9.400 -5.365 9.007 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.013 -3.098 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.864 -3.064 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.483 -4.120 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.416 -1.767 6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.049 -2.403 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.924 -0.114 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.576 -1.291 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.949 0.155 9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.374 -1.500 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.599 -0.017 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.011 -0.923 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.516 0.693 7.621 1.00 0.00 H new ATOM 870 N SER A 55 -12.464 -5.423 7.754 1.00 0.00 N ATOM 871 CA SER A 55 -13.709 -5.852 7.091 1.00 0.00 C ATOM 872 C SER A 55 -13.522 -6.080 5.591 1.00 0.00 C ATOM 873 O SER A 55 -14.494 -6.116 4.838 1.00 0.00 O ATOM 874 CB SER A 55 -14.855 -4.859 7.325 1.00 0.00 C ATOM 875 OG SER A 55 -14.840 -3.823 6.356 1.00 0.00 O ATOM 0 H SER A 55 -11.890 -6.197 8.089 1.00 0.00 H new ATOM 0 HA SER A 55 -13.975 -6.805 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.809 -5.384 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.769 -4.429 8.323 1.00 0.00 H new ATOM 0 HG SER A 55 -14.023 -3.292 6.457 1.00 0.00 H new ATOM 881 N GLY A 56 -12.276 -6.230 5.160 1.00 0.00 N ATOM 882 CA GLY A 56 -12.000 -6.480 3.754 1.00 0.00 C ATOM 883 C GLY A 56 -11.924 -5.220 2.907 1.00 0.00 C ATOM 884 O GLY A 56 -11.464 -5.269 1.767 1.00 0.00 O ATOM 0 H GLY A 56 -11.450 -6.183 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.057 -7.020 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.777 -7.130 3.351 1.00 0.00 H new ATOM 888 N PHE A 57 -12.369 -4.093 3.451 1.00 0.00 N ATOM 889 CA PHE A 57 -12.318 -2.832 2.714 1.00 0.00 C ATOM 890 C PHE A 57 -11.702 -1.739 3.573 1.00 0.00 C ATOM 891 O PHE A 57 -12.167 -1.468 4.679 1.00 0.00 O ATOM 892 CB PHE A 57 -13.718 -2.402 2.262 1.00 0.00 C ATOM 893 CG PHE A 57 -14.326 -3.313 1.235 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.117 -3.091 -0.117 1.00 0.00 C ATOM 895 CD2 PHE A 57 -15.110 -4.389 1.620 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.678 -3.925 -1.065 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.673 -5.226 0.676 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.457 -4.994 -0.669 1.00 0.00 C ATOM 0 H PHE A 57 -12.765 -4.024 4.388 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.698 -2.988 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.374 -2.360 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.665 -1.393 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.509 -2.257 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.283 -4.575 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.507 -3.741 -2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.282 -6.061 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.896 -5.647 -1.408 1.00 0.00 H new ATOM 908 N ILE A 58 -10.671 -1.096 3.044 1.00 0.00 N ATOM 909 CA ILE A 58 -9.991 -0.030 3.763 1.00 0.00 C ATOM 910 C ILE A 58 -10.374 1.315 3.193 1.00 0.00 C ATOM 911 O ILE A 58 -10.399 1.511 1.981 1.00 0.00 O ATOM 912 CB ILE A 58 -8.461 -0.189 3.714 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.068 -1.667 3.766 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.821 0.565 4.867 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.612 -1.918 3.443 1.00 0.00 C ATOM 0 H ILE A 58 -10.288 -1.294 2.120 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.306 -0.093 4.805 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.101 0.228 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.283 -2.057 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.689 -2.224 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.738 0.446 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.073 1.623 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.192 0.168 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.406 -2.987 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.395 -1.559 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.984 -1.389 4.160 1.00 0.00 H new ATOM 927 N GLU A 59 -10.625 2.253 4.082 1.00 0.00 N ATOM 928 CA GLU A 59 -11.049 3.575 3.687 1.00 0.00 C ATOM 929 C GLU A 59 -9.915 4.579 3.768 1.00 0.00 C ATOM 930 O GLU A 59 -9.308 4.789 4.816 1.00 0.00 O ATOM 931 CB GLU A 59 -12.199 4.007 4.576 1.00 0.00 C ATOM 932 CG GLU A 59 -13.566 3.646 4.018 1.00 0.00 C ATOM 933 CD GLU A 59 -14.702 4.246 4.822 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.084 3.646 5.849 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.212 5.316 4.424 1.00 0.00 O ATOM 0 H GLU A 59 -10.541 2.120 5.090 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.371 3.540 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.083 3.546 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.149 5.086 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.635 3.990 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.672 2.561 4.000 1.00 0.00 H new ATOM 942 N GLU A 60 -9.663 5.200 2.627 1.00 0.00 N ATOM 943 CA GLU A 60 -8.617 6.203 2.467 1.00 0.00 C ATOM 944 C GLU A 60 -8.460 7.088 3.701 1.00 0.00 C ATOM 945 O GLU A 60 -7.356 7.530 4.017 1.00 0.00 O ATOM 946 CB GLU A 60 -8.946 7.064 1.259 1.00 0.00 C ATOM 947 CG GLU A 60 -10.376 7.563 1.290 1.00 0.00 C ATOM 948 CD GLU A 60 -10.481 9.035 1.633 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.356 9.378 2.826 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.685 9.847 0.706 1.00 0.00 O ATOM 0 H GLU A 60 -10.187 5.020 1.771 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.670 5.681 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.266 7.915 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.783 6.488 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.837 7.388 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.941 6.984 2.020 1.00 0.00 H new ATOM 957 N ASP A 61 -9.566 7.353 4.389 1.00 0.00 N ATOM 958 CA ASP A 61 -9.533 8.191 5.581 1.00 0.00 C ATOM 959 C ASP A 61 -8.714 7.522 6.676 1.00 0.00 C ATOM 960 O ASP A 61 -7.823 8.134 7.265 1.00 0.00 O ATOM 961 CB ASP A 61 -10.953 8.467 6.082 1.00 0.00 C ATOM 962 CG ASP A 61 -11.781 9.254 5.085 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.360 8.631 4.169 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.851 10.495 5.221 1.00 0.00 O ATOM 0 H ASP A 61 -10.491 7.001 4.143 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.064 9.140 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.450 7.520 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.902 9.018 7.021 1.00 0.00 H new ATOM 969 N GLU A 62 -9.027 6.261 6.940 1.00 0.00 N ATOM 970 CA GLU A 62 -8.311 5.492 7.951 1.00 0.00 C ATOM 971 C GLU A 62 -7.102 4.791 7.330 1.00 0.00 C ATOM 972 O GLU A 62 -6.201 4.337 8.038 1.00 0.00 O ATOM 973 CB GLU A 62 -9.242 4.461 8.598 1.00 0.00 C ATOM 974 CG GLU A 62 -10.414 5.078 9.348 1.00 0.00 C ATOM 975 CD GLU A 62 -11.321 5.899 8.450 1.00 0.00 C ATOM 976 OE1 GLU A 62 -12.210 5.305 7.804 1.00 0.00 O ATOM 977 OE2 GLU A 62 -11.143 7.134 8.397 1.00 0.00 O ATOM 0 H GLU A 62 -9.772 5.748 6.469 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.961 6.179 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.627 3.797 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.664 3.846 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.996 4.285 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.034 5.712 10.149 1.00 0.00 H new ATOM 984 N LEU A 63 -7.095 4.708 6.000 1.00 0.00 N ATOM 985 CA LEU A 63 -6.010 4.072 5.269 1.00 0.00 C ATOM 986 C LEU A 63 -4.666 4.684 5.658 1.00 0.00 C ATOM 987 O LEU A 63 -3.635 4.013 5.650 1.00 0.00 O ATOM 988 CB LEU A 63 -6.256 4.225 3.757 1.00 0.00 C ATOM 989 CG LEU A 63 -5.577 3.200 2.822 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.935 2.044 3.581 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.590 2.664 1.820 1.00 0.00 C ATOM 0 H LEU A 63 -7.837 5.078 5.406 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.981 3.012 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.331 4.179 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.928 5.221 3.461 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.776 3.723 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.474 1.356 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.174 2.432 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.698 1.517 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.105 1.942 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.407 2.178 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.984 3.488 1.225 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.697 5.958 6.016 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.482 6.653 6.403 1.00 0.00 C ATOM 1005 C GLY A 64 -2.888 6.113 7.685 1.00 0.00 C ATOM 1006 O GLY A 64 -1.686 6.221 7.916 1.00 0.00 O ATOM 0 H GLY A 64 -5.543 6.527 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.748 6.567 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.698 7.714 6.525 1.00 0.00 H new ATOM 1010 N SER A 65 -3.728 5.533 8.524 1.00 0.00 N ATOM 1011 CA SER A 65 -3.269 4.961 9.778 1.00 0.00 C ATOM 1012 C SER A 65 -2.755 3.549 9.543 1.00 0.00 C ATOM 1013 O SER A 65 -1.612 3.217 9.863 1.00 0.00 O ATOM 1014 CB SER A 65 -4.414 4.928 10.789 1.00 0.00 C ATOM 1015 OG SER A 65 -3.965 4.482 12.058 1.00 0.00 O ATOM 0 H SER A 65 -4.731 5.446 8.360 1.00 0.00 H new ATOM 0 HA SER A 65 -2.462 5.578 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.848 5.923 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.203 4.269 10.427 1.00 0.00 H new ATOM 0 HG SER A 65 -4.717 4.472 12.686 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.619 2.730 8.964 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.297 1.342 8.667 1.00 0.00 C ATOM 1023 C ILE A 66 -2.093 1.220 7.725 1.00 0.00 C ATOM 1024 O ILE A 66 -1.490 0.153 7.619 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.510 0.630 8.047 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.235 -0.853 7.892 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.858 1.252 6.706 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.863 -1.537 9.190 1.00 0.00 C ATOM 0 H ILE A 66 -4.561 3.007 8.687 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.035 0.865 9.612 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.362 0.751 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.119 -1.337 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.427 -0.992 7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.719 0.738 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.097 2.306 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.008 1.159 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.680 -2.595 9.004 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.962 -1.079 9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.679 -1.430 9.905 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.743 2.314 7.043 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.605 2.323 6.123 1.00 0.00 C ATOM 1042 C LEU A 67 0.649 1.761 6.783 1.00 0.00 C ATOM 1043 O LEU A 67 1.541 1.234 6.109 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.358 3.758 5.661 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.668 4.053 4.190 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.515 3.690 3.322 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.913 3.313 3.712 1.00 0.00 C ATOM 0 H LEU A 67 -2.233 3.206 7.112 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.838 1.688 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.958 4.426 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.687 4.004 5.848 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.864 5.122 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.281 3.905 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.383 4.275 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.736 2.628 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.097 3.550 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.762 2.239 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.771 3.621 4.310 1.00 0.00 H new ATOM 1059 N LYS A 68 0.694 1.847 8.104 1.00 0.00 N ATOM 1060 CA LYS A 68 1.838 1.375 8.863 1.00 0.00 C ATOM 1061 C LYS A 68 2.258 -0.035 8.458 1.00 0.00 C ATOM 1062 O LYS A 68 3.388 -0.438 8.716 1.00 0.00 O ATOM 1063 CB LYS A 68 1.518 1.417 10.347 1.00 0.00 C ATOM 1064 CG LYS A 68 1.171 2.809 10.844 1.00 0.00 C ATOM 1065 CD LYS A 68 0.383 2.750 12.142 1.00 0.00 C ATOM 1066 CE LYS A 68 0.120 4.137 12.704 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.694 4.968 11.776 1.00 0.00 N ATOM 0 H LYS A 68 -0.054 2.242 8.674 1.00 0.00 H new ATOM 0 HA LYS A 68 2.676 2.037 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.683 0.747 10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.374 1.041 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.086 3.382 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.589 3.334 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.566 2.242 11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.932 2.159 12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.396 4.049 13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.070 4.635 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.171 5.834 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.889 4.430 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.592 5.222 12.235 1.00 0.00 H new ATOM 1081 N GLY A 69 1.356 -0.799 7.839 1.00 0.00 N ATOM 1082 CA GLY A 69 1.709 -2.148 7.411 1.00 0.00 C ATOM 1083 C GLY A 69 3.078 -2.195 6.749 1.00 0.00 C ATOM 1084 O GLY A 69 3.948 -2.962 7.160 1.00 0.00 O ATOM 0 H GLY A 69 0.400 -0.514 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.700 -2.816 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.956 -2.516 6.714 1.00 0.00 H new ATOM 1088 N PHE A 70 3.262 -1.370 5.722 1.00 0.00 N ATOM 1089 CA PHE A 70 4.539 -1.293 5.023 1.00 0.00 C ATOM 1090 C PHE A 70 5.347 -0.102 5.538 1.00 0.00 C ATOM 1091 O PHE A 70 6.563 -0.170 5.716 1.00 0.00 O ATOM 1092 CB PHE A 70 4.344 -1.158 3.508 1.00 0.00 C ATOM 1093 CG PHE A 70 3.041 -0.531 3.087 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.854 -1.241 3.172 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.008 0.763 2.585 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.659 -0.673 2.772 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.814 1.335 2.179 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.639 0.616 2.275 1.00 0.00 C ATOM 0 H PHE A 70 2.543 -0.746 5.356 1.00 0.00 H new ATOM 0 HA PHE A 70 5.079 -2.220 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.163 -0.564 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.415 -2.148 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.863 -2.251 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.924 1.330 2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.259 -1.237 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.802 2.342 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.294 1.061 1.962 1.00 0.00 H new ATOM 1108 N SER A 71 4.624 0.986 5.768 1.00 0.00 N ATOM 1109 CA SER A 71 5.175 2.255 6.231 1.00 0.00 C ATOM 1110 C SER A 71 5.499 2.261 7.725 1.00 0.00 C ATOM 1111 O SER A 71 5.894 3.290 8.260 1.00 0.00 O ATOM 1112 CB SER A 71 4.210 3.391 5.908 1.00 0.00 C ATOM 1113 OG SER A 71 3.142 3.436 6.839 1.00 0.00 O ATOM 0 H SER A 71 3.613 1.012 5.635 1.00 0.00 H new ATOM 0 HA SER A 71 6.117 2.398 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.745 4.340 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.813 3.260 4.901 1.00 0.00 H new ATOM 0 HG SER A 71 3.027 4.354 7.161 1.00 0.00 H new ATOM 1119 N SER A 72 5.308 1.137 8.410 1.00 0.00 N ATOM 1120 CA SER A 72 5.576 1.079 9.852 1.00 0.00 C ATOM 1121 C SER A 72 6.912 1.744 10.194 1.00 0.00 C ATOM 1122 O SER A 72 7.105 2.228 11.308 1.00 0.00 O ATOM 1123 CB SER A 72 5.590 -0.373 10.343 1.00 0.00 C ATOM 1124 OG SER A 72 6.285 -0.488 11.572 1.00 0.00 O ATOM 0 H SER A 72 4.974 0.264 8.002 1.00 0.00 H new ATOM 0 HA SER A 72 4.775 1.621 10.355 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.567 -0.729 10.465 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.061 -1.009 9.594 1.00 0.00 H new ATOM 0 HG SER A 72 6.279 -1.423 11.865 1.00 0.00 H new ATOM 1130 N ASP A 73 7.825 1.762 9.230 1.00 0.00 N ATOM 1131 CA ASP A 73 9.121 2.400 9.419 1.00 0.00 C ATOM 1132 C ASP A 73 9.205 3.666 8.568 1.00 0.00 C ATOM 1133 O ASP A 73 10.238 3.966 7.971 1.00 0.00 O ATOM 1134 CB ASP A 73 10.248 1.436 9.060 1.00 0.00 C ATOM 1135 CG ASP A 73 9.929 0.593 7.840 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.066 -0.305 7.951 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.541 0.825 6.778 1.00 0.00 O ATOM 0 H ASP A 73 7.691 1.342 8.310 1.00 0.00 H new ATOM 0 HA ASP A 73 9.230 2.674 10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.161 2.003 8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.444 0.781 9.909 1.00 0.00 H new ATOM 1142 N ALA A 74 8.096 4.403 8.529 1.00 0.00 N ATOM 1143 CA ALA A 74 8.001 5.630 7.745 1.00 0.00 C ATOM 1144 C ALA A 74 6.726 6.404 8.082 1.00 0.00 C ATOM 1145 O ALA A 74 6.123 6.198 9.135 1.00 0.00 O ATOM 1146 CB ALA A 74 8.023 5.292 6.264 1.00 0.00 C ATOM 0 H ALA A 74 7.244 4.167 9.037 1.00 0.00 H new ATOM 0 HA ALA A 74 8.855 6.261 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.952 6.210 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.954 4.779 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.179 4.644 6.026 1.00 0.00 H new ATOM 1152 N ARG A 75 6.321 7.295 7.176 1.00 0.00 N ATOM 1153 CA ARG A 75 5.113 8.092 7.369 1.00 0.00 C ATOM 1154 C ARG A 75 3.899 7.348 6.806 1.00 0.00 C ATOM 1155 O ARG A 75 3.882 6.120 6.784 1.00 0.00 O ATOM 1156 CB ARG A 75 5.280 9.461 6.700 1.00 0.00 C ATOM 1157 CG ARG A 75 6.532 10.202 7.140 1.00 0.00 C ATOM 1158 CD ARG A 75 6.530 11.638 6.639 1.00 0.00 C ATOM 1159 NE ARG A 75 7.585 12.433 7.259 1.00 0.00 N ATOM 1160 CZ ARG A 75 7.668 13.756 7.155 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.765 14.427 6.450 1.00 0.00 N ATOM 1162 NH2 ARG A 75 8.652 14.411 7.754 1.00 0.00 N ATOM 0 H ARG A 75 6.813 7.481 6.302 1.00 0.00 H new ATOM 0 HA ARG A 75 4.950 8.250 8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.308 9.327 5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.407 10.074 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.598 10.194 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.414 9.685 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.659 11.645 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.562 12.094 6.848 1.00 0.00 H new ATOM 0 HE ARG A 75 8.298 11.947 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.006 13.928 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.831 15.442 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.348 13.900 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.713 15.426 7.672 1.00 0.00 H new ATOM 1176 N ASP A 76 2.878 8.082 6.363 1.00 0.00 N ATOM 1177 CA ASP A 76 1.682 7.451 5.814 1.00 0.00 C ATOM 1178 C ASP A 76 1.124 8.238 4.631 1.00 0.00 C ATOM 1179 O ASP A 76 1.670 9.268 4.234 1.00 0.00 O ATOM 1180 CB ASP A 76 0.612 7.327 6.897 1.00 0.00 C ATOM 1181 CG ASP A 76 1.030 6.400 8.020 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.662 6.882 8.984 1.00 0.00 O ATOM 1183 OD2 ASP A 76 0.728 5.191 7.937 1.00 0.00 O ATOM 0 H ASP A 76 2.856 9.102 6.374 1.00 0.00 H new ATOM 0 HA ASP A 76 1.964 6.460 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.397 8.314 7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.312 6.959 6.451 1.00 0.00 H new ATOM 1188 N LEU A 77 0.030 7.730 4.078 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.641 8.356 2.946 1.00 0.00 C ATOM 1190 C LEU A 77 -1.273 9.679 3.386 1.00 0.00 C ATOM 1191 O LEU A 77 -1.941 9.745 4.419 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.669 7.358 2.376 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.155 7.602 2.673 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.872 7.994 1.404 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.793 6.355 3.256 1.00 0.00 C ATOM 0 H LEU A 77 -0.417 6.872 4.402 1.00 0.00 H new ATOM 0 HA LEU A 77 0.066 8.599 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.545 7.333 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.413 6.366 2.749 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.236 8.409 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.926 8.166 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.430 8.906 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.778 7.193 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.846 6.547 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.705 5.534 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.287 6.087 4.183 1.00 0.00 H new ATOM 1207 N SER A 78 -1.036 10.737 2.619 1.00 0.00 N ATOM 1208 CA SER A 78 -1.577 12.051 2.949 1.00 0.00 C ATOM 1209 C SER A 78 -2.764 12.394 2.057 1.00 0.00 C ATOM 1210 O SER A 78 -3.238 11.560 1.287 1.00 0.00 O ATOM 1211 CB SER A 78 -0.492 13.120 2.805 1.00 0.00 C ATOM 1212 OG SER A 78 0.611 12.845 3.651 1.00 0.00 O ATOM 0 H SER A 78 -0.475 10.712 1.767 1.00 0.00 H new ATOM 0 HA SER A 78 -1.921 12.025 3.983 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.157 13.165 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.906 14.098 3.049 1.00 0.00 H new ATOM 0 HG SER A 78 1.291 13.542 3.539 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.243 13.631 2.170 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.374 14.091 1.370 1.00 0.00 C ATOM 1220 C ALA A 79 -4.181 13.733 -0.096 1.00 0.00 C ATOM 1221 O ALA A 79 -5.061 13.149 -0.729 1.00 0.00 O ATOM 1222 CB ALA A 79 -4.539 15.593 1.518 1.00 0.00 C ATOM 0 H ALA A 79 -2.865 14.332 2.808 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.274 13.593 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.385 15.927 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.718 15.838 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.633 16.094 1.178 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.019 14.090 -0.627 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.690 13.798 -2.015 1.00 0.00 C ATOM 1230 C LYS A 80 -2.835 12.308 -2.293 1.00 0.00 C ATOM 1231 O LYS A 80 -3.490 11.905 -3.249 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.256 14.236 -2.323 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.008 15.721 -2.107 1.00 0.00 C ATOM 1234 CD LYS A 80 0.445 16.083 -2.374 1.00 0.00 C ATOM 1235 CE LYS A 80 0.705 17.562 -2.147 1.00 0.00 C ATOM 1236 NZ LYS A 80 0.369 17.980 -0.758 1.00 0.00 N ATOM 0 H LYS A 80 -2.287 14.583 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.380 14.349 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.570 13.667 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.024 13.985 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.656 16.300 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.270 15.991 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.092 15.495 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.703 15.821 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.754 17.781 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.116 18.146 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.774 18.919 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.664 18.021 -0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.762 17.292 -0.084 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.218 11.501 -1.441 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.254 10.052 -1.566 1.00 0.00 C ATOM 1252 C GLU A 81 -3.660 9.527 -1.343 1.00 0.00 C ATOM 1253 O GLU A 81 -4.025 8.477 -1.868 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.308 9.418 -0.545 1.00 0.00 C ATOM 1255 CG GLU A 81 0.055 10.090 -0.477 1.00 0.00 C ATOM 1256 CD GLU A 81 0.719 10.191 -1.835 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.396 11.135 -2.584 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.563 9.324 -2.148 1.00 0.00 O ATOM 0 H GLU A 81 -1.678 11.834 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.936 9.788 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.772 9.457 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.173 8.365 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.056 11.089 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.700 9.529 0.199 1.00 0.00 H new ATOM 1265 N THR A 82 -4.455 10.239 -0.557 1.00 0.00 N ATOM 1266 CA THR A 82 -5.812 9.793 -0.313 1.00 0.00 C ATOM 1267 C THR A 82 -6.545 9.707 -1.639 1.00 0.00 C ATOM 1268 O THR A 82 -7.116 8.675 -1.996 1.00 0.00 O ATOM 1269 CB THR A 82 -6.552 10.770 0.619 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.820 10.933 1.839 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.948 10.267 0.928 1.00 0.00 C ATOM 0 H THR A 82 -4.190 11.106 -0.089 1.00 0.00 H new ATOM 0 HA THR A 82 -5.782 8.816 0.169 1.00 0.00 H new ATOM 0 HB THR A 82 -6.632 11.731 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.920 11.266 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.452 10.973 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.513 10.170 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.885 9.295 1.418 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.501 10.808 -2.370 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.098 10.886 -3.686 1.00 0.00 C ATOM 1281 C LYS A 83 -6.204 10.227 -4.737 1.00 0.00 C ATOM 1282 O LYS A 83 -6.689 9.716 -5.742 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.369 12.343 -4.061 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.284 13.059 -3.083 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.597 12.314 -2.901 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.318 12.124 -4.227 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.631 11.444 -4.054 1.00 0.00 N ATOM 0 H LYS A 83 -6.050 11.671 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.044 10.346 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.421 12.878 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.814 12.377 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.783 13.157 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.484 14.068 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.405 11.342 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.238 12.866 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.471 13.095 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.692 11.538 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.090 11.334 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.483 10.507 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.239 12.015 -3.433 1.00 0.00 H new ATOM 1301 N THR A 84 -4.889 10.257 -4.500 1.00 0.00 N ATOM 1302 CA THR A 84 -3.935 9.726 -5.465 1.00 0.00 C ATOM 1303 C THR A 84 -3.649 8.236 -5.313 1.00 0.00 C ATOM 1304 O THR A 84 -3.889 7.454 -6.228 1.00 0.00 O ATOM 1305 CB THR A 84 -2.599 10.493 -5.386 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.826 11.894 -5.577 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.619 9.992 -6.439 1.00 0.00 C ATOM 0 H THR A 84 -4.468 10.641 -3.654 1.00 0.00 H new ATOM 0 HA THR A 84 -4.411 9.864 -6.436 1.00 0.00 H new ATOM 0 HB THR A 84 -2.169 10.322 -4.399 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.415 12.229 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.685 10.549 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.423 8.932 -6.279 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.046 10.136 -7.431 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.182 7.845 -4.143 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.806 6.457 -3.898 1.00 0.00 C ATOM 1317 C LEU A 85 -3.993 5.541 -3.656 1.00 0.00 C ATOM 1318 O LEU A 85 -4.098 4.484 -4.280 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.843 6.380 -2.722 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.392 6.698 -3.053 1.00 0.00 C ATOM 1321 CD1 LEU A 85 0.270 5.498 -3.695 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.293 7.912 -3.969 1.00 0.00 C ATOM 0 H LEU A 85 -3.052 8.466 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.322 6.102 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.182 7.069 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.891 5.377 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 85 0.127 6.934 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.308 5.736 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.237 4.653 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.258 5.239 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.755 8.117 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.827 7.711 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.736 8.777 -3.476 1.00 0.00 H new ATOM 1334 N MET A 86 -4.890 5.928 -2.764 1.00 0.00 N ATOM 1335 CA MET A 86 -6.045 5.085 -2.485 1.00 0.00 C ATOM 1336 C MET A 86 -7.046 5.124 -3.632 1.00 0.00 C ATOM 1337 O MET A 86 -7.478 4.080 -4.118 1.00 0.00 O ATOM 1338 CB MET A 86 -6.714 5.481 -1.168 1.00 0.00 C ATOM 1339 CG MET A 86 -5.737 5.935 -0.085 1.00 0.00 C ATOM 1340 SD MET A 86 -4.180 5.010 -0.059 1.00 0.00 S ATOM 1341 CE MET A 86 -4.747 3.332 -0.309 1.00 0.00 C ATOM 0 H MET A 86 -4.846 6.797 -2.232 1.00 0.00 H new ATOM 0 HA MET A 86 -5.687 4.060 -2.386 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.425 6.284 -1.361 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.286 4.632 -0.794 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.517 6.993 -0.230 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.220 5.840 0.888 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.394 2.703 0.508 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.837 3.316 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.357 2.953 -1.254 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.401 6.325 -4.075 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.356 6.471 -5.167 1.00 0.00 C ATOM 1353 C ALA A 87 -7.847 5.831 -6.461 1.00 0.00 C ATOM 1354 O ALA A 87 -8.637 5.280 -7.229 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.690 7.939 -5.389 1.00 0.00 C ATOM 0 H ALA A 87 -7.046 7.204 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.265 5.943 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.404 8.030 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.125 8.355 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.780 8.485 -5.639 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.537 5.898 -6.714 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.979 5.300 -7.921 1.00 0.00 C ATOM 1363 C ALA A 88 -5.875 3.792 -7.759 1.00 0.00 C ATOM 1364 O ALA A 88 -6.128 3.034 -8.693 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.621 5.898 -8.243 1.00 0.00 C ATOM 0 H ALA A 88 -5.855 6.354 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.648 5.517 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.225 5.436 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.724 6.972 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.937 5.716 -7.414 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.496 3.368 -6.559 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.377 1.954 -6.279 1.00 0.00 C ATOM 1373 C GLY A 89 -6.725 1.266 -6.301 1.00 0.00 C ATOM 1374 O GLY A 89 -6.838 0.096 -6.669 1.00 0.00 O ATOM 0 H GLY A 89 -5.269 3.981 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.720 1.491 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.912 1.814 -5.303 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.750 2.013 -5.903 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.120 1.513 -5.871 1.00 0.00 C ATOM 1380 C ASP A 90 -9.846 1.858 -7.163 1.00 0.00 C ATOM 1381 O ASP A 90 -11.020 2.211 -7.145 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.880 2.077 -4.669 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.027 3.587 -4.722 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.324 4.117 -5.813 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.850 4.236 -3.671 1.00 0.00 O ATOM 0 H ASP A 90 -7.655 2.980 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.080 0.428 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.869 1.622 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.359 1.799 -3.753 1.00 0.00 H new ATOM 1390 N LYS A 91 -9.117 1.800 -8.279 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.656 2.102 -9.602 1.00 0.00 C ATOM 1392 C LYS A 91 -11.124 1.692 -9.745 1.00 0.00 C ATOM 1393 O LYS A 91 -11.970 2.511 -10.104 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.811 1.368 -10.629 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.820 2.005 -11.993 1.00 0.00 C ATOM 1396 CD LYS A 91 -10.160 1.802 -12.667 1.00 0.00 C ATOM 1397 CE LYS A 91 -10.012 1.655 -14.173 1.00 0.00 C ATOM 1398 NZ LYS A 91 -11.325 1.440 -14.842 1.00 0.00 N ATOM 0 H LYS A 91 -8.131 1.540 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.618 3.180 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.783 1.316 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.171 0.343 -10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.609 3.071 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.029 1.574 -12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.642 0.913 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.811 2.648 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.539 2.549 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.351 0.817 -14.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.181 1.345 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.765 0.573 -14.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.947 2.252 -14.654 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.423 0.428 -9.468 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.792 -0.069 -9.563 1.00 0.00 C ATOM 1414 C ASP A 92 -13.481 -0.008 -8.201 1.00 0.00 C ATOM 1415 O ASP A 92 -14.259 -0.894 -7.843 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.809 -1.503 -10.095 1.00 0.00 C ATOM 1417 CG ASP A 92 -14.216 -2.006 -10.353 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -14.740 -1.758 -11.459 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -14.792 -2.647 -9.450 1.00 0.00 O ATOM 0 H ASP A 92 -10.739 -0.270 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.336 0.568 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.233 -1.552 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.317 -2.160 -9.378 1.00 0.00 H new ATOM 1424 N GLY A 93 -13.182 1.045 -7.448 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.753 1.219 -6.133 1.00 0.00 C ATOM 1426 C GLY A 93 -14.379 2.587 -5.943 1.00 0.00 C ATOM 1427 O GLY A 93 -14.506 3.360 -6.893 1.00 0.00 O ATOM 0 H GLY A 93 -12.545 1.789 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.509 0.452 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.977 1.072 -5.382 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.771 2.880 -4.710 1.00 0.00 N ATOM 1432 CA ASP A 94 -15.385 4.163 -4.379 1.00 0.00 C ATOM 1433 C ASP A 94 -14.491 4.979 -3.443 1.00 0.00 C ATOM 1434 O ASP A 94 -14.954 5.914 -2.792 1.00 0.00 O ATOM 1435 CB ASP A 94 -16.755 3.942 -3.735 1.00 0.00 C ATOM 1436 CG ASP A 94 -16.674 3.097 -2.479 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.592 1.857 -2.603 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.694 3.675 -1.373 1.00 0.00 O ATOM 0 H ASP A 94 -14.675 2.244 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.510 4.725 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -17.199 4.907 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -17.417 3.458 -4.453 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.210 4.618 -3.382 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.278 5.317 -2.513 1.00 0.00 C ATOM 1445 C GLY A 95 -11.792 4.433 -1.385 1.00 0.00 C ATOM 1446 O GLY A 95 -11.494 4.908 -0.287 1.00 0.00 O ATOM 0 H GLY A 95 -12.802 3.853 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.425 5.663 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.761 6.202 -2.099 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.716 3.140 -1.664 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.273 2.157 -0.684 1.00 0.00 C ATOM 1452 C LYS A 96 -10.618 0.976 -1.388 1.00 0.00 C ATOM 1453 O LYS A 96 -11.067 0.560 -2.455 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.468 1.651 0.139 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.228 2.747 0.864 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.370 3.274 0.013 1.00 0.00 C ATOM 1457 CE LYS A 96 -14.983 4.529 0.614 1.00 0.00 C ATOM 1458 NZ LYS A 96 -15.931 4.211 1.718 1.00 0.00 N ATOM 0 H LYS A 96 -11.958 2.743 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.551 2.633 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.155 1.124 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.111 0.926 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.620 2.361 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.548 3.562 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.006 3.491 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.136 2.505 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.190 5.175 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.505 5.086 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.755 4.849 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.908 4.336 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.793 3.226 2.022 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.559 0.433 -0.797 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.891 -0.712 -1.394 1.00 0.00 C ATOM 1474 C ILE A 97 -9.133 -1.969 -0.569 1.00 0.00 C ATOM 1475 O ILE A 97 -8.635 -2.101 0.549 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.365 -0.501 -1.550 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.073 0.702 -2.447 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.712 -1.755 -2.125 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.594 0.906 -2.722 1.00 0.00 C ATOM 0 H ILE A 97 -9.152 0.761 0.079 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.320 -0.827 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.946 -0.305 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.597 0.575 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.475 1.601 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.639 -1.592 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.888 -2.597 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.142 -1.974 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.460 1.776 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.067 1.065 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.191 0.023 -3.218 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.905 -2.885 -1.134 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.180 -4.136 -0.467 1.00 0.00 C ATOM 1493 C GLY A 98 -9.263 -5.224 -0.972 1.00 0.00 C ATOM 1494 O GLY A 98 -8.165 -4.941 -1.451 1.00 0.00 O ATOM 0 H GLY A 98 -10.347 -2.781 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.052 -4.016 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.218 -4.422 -0.634 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.700 -6.465 -0.871 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.894 -7.579 -1.342 1.00 0.00 C ATOM 1500 C VAL A 99 -8.766 -7.549 -2.866 1.00 0.00 C ATOM 1501 O VAL A 99 -7.728 -7.915 -3.419 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.487 -8.930 -0.901 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.824 -9.179 -1.581 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.514 -10.058 -1.195 1.00 0.00 C ATOM 0 H VAL A 99 -10.601 -6.728 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.905 -7.474 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.657 -8.896 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.225 -10.139 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.521 -8.385 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.686 -9.192 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.949 -11.006 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.310 -10.093 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.583 -9.886 -0.654 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.828 -7.111 -3.540 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.832 -7.036 -5.002 1.00 0.00 C ATOM 1516 C GLU A 100 -8.982 -5.872 -5.491 1.00 0.00 C ATOM 1517 O GLU A 100 -8.075 -6.039 -6.307 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.251 -6.864 -5.571 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.372 -7.125 -4.591 1.00 0.00 C ATOM 1520 CD GLU A 100 -12.364 -8.538 -4.046 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -11.677 -9.398 -4.638 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -13.042 -8.785 -3.028 1.00 0.00 O ATOM 0 H GLU A 100 -10.695 -6.803 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.418 -7.981 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.352 -5.848 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.369 -7.536 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.294 -6.421 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.327 -6.936 -5.081 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.293 -4.688 -4.972 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.598 -3.464 -5.356 1.00 0.00 C ATOM 1531 C GLU A 101 -7.113 -3.508 -5.008 1.00 0.00 C ATOM 1532 O GLU A 101 -6.299 -2.867 -5.673 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.251 -2.259 -4.683 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.613 -1.903 -5.260 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.567 -3.080 -5.304 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.219 -3.354 -4.275 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.660 -3.727 -6.368 1.00 0.00 O ATOM 0 H GLU A 101 -10.028 -4.550 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.678 -3.373 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.359 -2.463 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.589 -1.398 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.056 -1.106 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.482 -1.511 -6.269 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.754 -4.260 -3.972 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.356 -4.351 -3.564 1.00 0.00 C ATOM 1546 C PHE A 102 -4.480 -4.724 -4.754 1.00 0.00 C ATOM 1547 O PHE A 102 -3.334 -4.288 -4.856 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.173 -5.375 -2.445 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.990 -5.084 -1.573 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -4.091 -4.206 -0.506 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.779 -5.689 -1.825 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.996 -3.939 0.294 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.676 -5.428 -1.032 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.785 -4.551 0.030 1.00 0.00 C ATOM 0 H PHE A 102 -7.402 -4.808 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.054 -3.374 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.073 -5.399 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.060 -6.367 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.035 -3.725 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.689 -6.377 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.086 -3.254 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.732 -5.909 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.927 -4.344 0.652 1.00 0.00 H new ATOM 1564 N SER A 103 -5.028 -5.542 -5.643 1.00 0.00 N ATOM 1565 CA SER A 103 -4.309 -5.962 -6.840 1.00 0.00 C ATOM 1566 C SER A 103 -4.339 -4.864 -7.900 1.00 0.00 C ATOM 1567 O SER A 103 -3.375 -4.677 -8.642 1.00 0.00 O ATOM 1568 CB SER A 103 -4.917 -7.248 -7.402 1.00 0.00 C ATOM 1569 OG SER A 103 -6.270 -7.054 -7.776 1.00 0.00 O ATOM 0 H SER A 103 -5.968 -5.928 -5.558 1.00 0.00 H new ATOM 0 HA SER A 103 -3.271 -6.152 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.342 -7.578 -8.267 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.853 -8.040 -6.656 1.00 0.00 H new ATOM 0 HG SER A 103 -6.811 -6.893 -6.975 1.00 0.00 H new ATOM 1575 N THR A 104 -5.448 -4.132 -7.960 1.00 0.00 N ATOM 1576 CA THR A 104 -5.602 -3.064 -8.940 1.00 0.00 C ATOM 1577 C THR A 104 -4.491 -2.024 -8.826 1.00 0.00 C ATOM 1578 O THR A 104 -3.863 -1.671 -9.825 1.00 0.00 O ATOM 1579 CB THR A 104 -6.964 -2.357 -8.813 1.00 0.00 C ATOM 1580 OG1 THR A 104 -8.025 -3.316 -8.892 1.00 0.00 O ATOM 1581 CG2 THR A 104 -7.131 -1.318 -9.914 1.00 0.00 C ATOM 0 H THR A 104 -6.250 -4.259 -7.343 1.00 0.00 H new ATOM 0 HA THR A 104 -5.542 -3.544 -9.917 1.00 0.00 H new ATOM 0 HB THR A 104 -7.002 -1.855 -7.846 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.887 -2.858 -8.809 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.099 -0.828 -9.808 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.338 -0.574 -9.836 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.076 -1.807 -10.887 1.00 0.00 H new ATOM 1589 N LEU A 105 -4.244 -1.529 -7.614 1.00 0.00 N ATOM 1590 CA LEU A 105 -3.206 -0.525 -7.416 1.00 0.00 C ATOM 1591 C LEU A 105 -1.846 -1.059 -7.868 1.00 0.00 C ATOM 1592 O LEU A 105 -0.955 -0.286 -8.220 1.00 0.00 O ATOM 1593 CB LEU A 105 -3.188 -0.023 -5.960 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.985 -0.365 -5.104 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -1.753 -1.860 -5.084 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.778 0.399 -5.621 1.00 0.00 C ATOM 0 H LEU A 105 -4.742 -1.803 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.435 0.339 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.286 1.062 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.075 -0.414 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.163 -0.065 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.885 -2.085 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.631 -2.359 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.576 -2.214 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.093 0.159 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.585 0.117 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.975 1.470 -5.567 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.692 -2.382 -7.858 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.437 -2.996 -8.269 1.00 0.00 C ATOM 1610 C VAL A 106 -0.133 -2.649 -9.717 1.00 0.00 C ATOM 1611 O VAL A 106 1.013 -2.385 -10.080 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.466 -4.526 -8.108 1.00 0.00 C ATOM 1613 CG1 VAL A 106 0.873 -5.129 -8.503 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.832 -4.907 -6.681 1.00 0.00 C ATOM 0 H VAL A 106 -2.415 -3.042 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 106 0.344 -2.601 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.230 -4.929 -8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.834 -6.212 -8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.088 -4.887 -9.544 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.658 -4.721 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.847 -5.993 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.094 -4.494 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.817 -4.508 -6.439 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.173 -2.654 -10.543 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.032 -2.322 -11.950 1.00 0.00 C ATOM 1626 C ALA A 107 -0.887 -0.815 -12.126 1.00 0.00 C ATOM 1627 O ALA A 107 -0.306 -0.343 -13.103 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.225 -2.844 -12.738 1.00 0.00 C ATOM 0 H ALA A 107 -2.125 -2.886 -10.258 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.131 -2.800 -12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.106 -2.588 -13.791 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.285 -3.927 -12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.140 -2.391 -12.356 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.424 -0.064 -11.167 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.349 1.391 -11.200 1.00 0.00 C ATOM 1636 C GLU A 108 0.094 1.857 -11.102 1.00 0.00 C ATOM 1637 O GLU A 108 0.659 2.385 -12.059 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.146 1.989 -10.048 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.640 1.879 -10.249 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.183 2.926 -11.201 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.178 2.676 -12.426 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.611 3.997 -10.725 1.00 0.00 O ATOM 0 H GLU A 108 -1.916 -0.442 -10.357 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.770 1.727 -12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.871 1.485 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.876 3.039 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.878 0.887 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.140 1.977 -9.285 1.00 0.00 H new ATOM 1649 N SER A 109 0.679 1.656 -9.926 1.00 0.00 N ATOM 1650 CA SER A 109 2.046 2.045 -9.667 1.00 0.00 C ATOM 1651 C SER A 109 2.992 1.477 -10.722 1.00 0.00 C ATOM 1652 O SER A 109 3.287 2.197 -11.699 1.00 0.00 O ATOM 1653 CB SER A 109 2.448 1.564 -8.277 1.00 0.00 C ATOM 1654 OG SER A 109 1.338 1.025 -7.579 1.00 0.00 O ATOM 1655 OXT SER A 109 3.429 0.319 -10.560 1.00 0.00 O ATOM 0 H SER A 109 0.213 1.219 -9.131 1.00 0.00 H new ATOM 0 HA SER A 109 2.117 3.132 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.229 0.808 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.869 2.394 -7.710 1.00 0.00 H new ATOM 0 HG SER A 109 1.652 0.554 -6.779 1.00 0.00 H new TER 1661 SER A 109