USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0964 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.00348) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0299 F(o=-0.88,f=-0.03) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= 1.29 (180deg=0.441) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.1 F(o=-1.4,f=-0.1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.135 F(o=-0.6,f=0.14) USER MOD Single : A 22 ASN : amide:sc=-0.00237 K(o=-0.0024,f=-0.99) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc=-0.00701 (180deg=-0.192) USER MOD Single : B 1 GLY N :NH3+ -111:sc= 0.102 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -178:sc= 0 (180deg=-0.00535) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN :FLIP amide:sc= -0.0345 F(o=-0.84,f=-0.035) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 136:sc= 1.29 (180deg=0.453) USER MOD Single : B 17 ASN :FLIP amide:sc= -0.136 F(o=-1.6,f=-0.14) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.139 F(o=-0.61,f=0.14) USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 166:sc=-0.00906 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.722 5.518 -3.302 1.00 0.00 N ATOM 2 CA GLY A 1 25.399 4.073 -3.312 1.00 0.00 C ATOM 3 C GLY A 1 24.031 3.803 -3.900 1.00 0.00 C ATOM 4 O GLY A 1 23.331 4.730 -4.312 1.00 0.00 O ATOM 0 H1 GLY A 1 26.470 5.711 -3.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.872 6.065 -3.547 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.051 5.794 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.153 3.537 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.439 3.685 -2.294 1.00 0.00 H new ATOM 10 N SER A 2 23.637 2.537 -3.926 1.00 0.00 N ATOM 11 CA SER A 2 22.361 2.152 -4.507 1.00 0.00 C ATOM 12 C SER A 2 21.242 2.256 -3.476 1.00 0.00 C ATOM 13 O SER A 2 20.093 1.922 -3.762 1.00 0.00 O ATOM 14 CB SER A 2 22.438 0.726 -5.042 1.00 0.00 C ATOM 15 OG SER A 2 23.645 0.521 -5.760 1.00 0.00 O ATOM 0 H SER A 2 24.183 1.761 -3.552 1.00 0.00 H new ATOM 0 HA SER A 2 22.141 2.834 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.377 0.019 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.585 0.530 -5.692 1.00 0.00 H new ATOM 0 HG SER A 2 23.675 -0.400 -6.093 1.00 0.00 H new ATOM 21 N MET A 3 21.579 2.724 -2.276 1.00 0.00 N ATOM 22 CA MET A 3 20.583 2.902 -1.226 1.00 0.00 C ATOM 23 C MET A 3 19.514 3.880 -1.687 1.00 0.00 C ATOM 24 O MET A 3 18.341 3.722 -1.367 1.00 0.00 O ATOM 25 CB MET A 3 21.220 3.408 0.069 1.00 0.00 C ATOM 26 CG MET A 3 22.241 2.455 0.667 1.00 0.00 C ATOM 27 SD MET A 3 22.915 3.059 2.225 1.00 0.00 S ATOM 28 CE MET A 3 24.099 1.771 2.601 1.00 0.00 C ATOM 0 H MET A 3 22.528 2.985 -2.009 1.00 0.00 H new ATOM 0 HA MET A 3 20.131 1.931 -1.025 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.702 4.366 -0.125 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.434 3.589 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.775 1.483 0.828 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.054 2.305 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 3 24.588 1.992 3.550 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.584 0.813 2.673 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.847 1.722 1.810 1.00 0.00 H new ATOM 38 N LYS A 4 19.931 4.875 -2.464 1.00 0.00 N ATOM 39 CA LYS A 4 19.010 5.858 -3.022 1.00 0.00 C ATOM 40 C LYS A 4 17.965 5.188 -3.909 1.00 0.00 C ATOM 41 O LYS A 4 16.810 5.613 -3.947 1.00 0.00 O ATOM 42 CB LYS A 4 19.770 6.908 -3.832 1.00 0.00 C ATOM 43 CG LYS A 4 20.738 7.743 -3.008 1.00 0.00 C ATOM 44 CD LYS A 4 21.398 8.828 -3.848 1.00 0.00 C ATOM 45 CE LYS A 4 20.376 9.802 -4.415 1.00 0.00 C ATOM 46 NZ LYS A 4 21.016 10.875 -5.218 1.00 0.00 N ATOM 0 H LYS A 4 20.907 5.022 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 4 18.503 6.345 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.323 6.408 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.051 7.572 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.206 8.201 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.504 7.096 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.119 9.372 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.954 8.368 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.664 9.259 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.809 10.249 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.285 11.517 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.677 11.410 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.536 10.451 -6.013 1.00 0.00 H new ATOM 60 N GLN A 5 18.368 4.128 -4.603 1.00 0.00 N ATOM 61 CA GLN A 5 17.464 3.429 -5.506 1.00 0.00 C ATOM 62 C GLN A 5 16.384 2.722 -4.707 1.00 0.00 C ATOM 63 O GLN A 5 15.204 2.782 -5.044 1.00 0.00 O ATOM 64 CB GLN A 5 18.229 2.413 -6.359 1.00 0.00 C ATOM 65 CG GLN A 5 19.415 3.007 -7.100 1.00 0.00 C ATOM 66 CD GLN A 5 19.032 4.143 -8.031 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.837 4.077 -8.602 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 19.814 5.068 -8.240 1.00 0.00 N flip ATOM 0 H GLN A 5 19.309 3.737 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 5 17.003 4.160 -6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.580 1.605 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.544 1.971 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.143 3.370 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.904 2.222 -7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.724 5.080 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.553 5.823 -8.874 1.00 0.00 H new ATOM 77 N LEU A 6 16.799 2.081 -3.625 1.00 0.00 N ATOM 78 CA LEU A 6 15.873 1.353 -2.769 1.00 0.00 C ATOM 79 C LEU A 6 15.024 2.326 -1.960 1.00 0.00 C ATOM 80 O LEU A 6 13.851 2.065 -1.687 1.00 0.00 O ATOM 81 CB LEU A 6 16.625 0.400 -1.827 1.00 0.00 C ATOM 82 CG LEU A 6 17.448 -0.700 -2.511 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.139 -1.571 -1.476 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.565 -1.549 -3.413 1.00 0.00 C ATOM 0 H LEU A 6 17.771 2.050 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 6 15.220 0.758 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.293 0.991 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.900 -0.073 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 6 18.210 -0.222 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.718 -2.345 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.805 -0.957 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.391 -2.037 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.168 -2.323 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.779 -2.015 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.114 -0.918 -4.179 1.00 0.00 H new ATOM 96 N GLU A 7 15.620 3.456 -1.596 1.00 0.00 N ATOM 97 CA GLU A 7 14.946 4.455 -0.788 1.00 0.00 C ATOM 98 C GLU A 7 13.835 5.142 -1.585 1.00 0.00 C ATOM 99 O GLU A 7 12.770 5.429 -1.049 1.00 0.00 O ATOM 100 CB GLU A 7 15.959 5.484 -0.271 1.00 0.00 C ATOM 101 CG GLU A 7 15.447 6.349 0.869 1.00 0.00 C ATOM 102 CD GLU A 7 16.450 7.400 1.285 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.397 7.068 2.025 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.292 8.569 0.873 1.00 0.00 O ATOM 0 H GLU A 7 16.577 3.700 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 7 14.486 3.958 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.855 4.959 0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.256 6.131 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.520 6.835 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.211 5.716 1.725 1.00 0.00 H new ATOM 111 N ASP A 8 14.080 5.395 -2.866 1.00 0.00 N ATOM 112 CA ASP A 8 13.050 5.965 -3.734 1.00 0.00 C ATOM 113 C ASP A 8 11.822 5.063 -3.761 1.00 0.00 C ATOM 114 O ASP A 8 10.686 5.530 -3.649 1.00 0.00 O ATOM 115 CB ASP A 8 13.572 6.163 -5.160 1.00 0.00 C ATOM 116 CG ASP A 8 13.892 7.611 -5.478 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.084 7.983 -5.447 1.00 0.00 O ATOM 118 OD2 ASP A 8 12.952 8.385 -5.775 1.00 0.00 O ATOM 0 H ASP A 8 14.973 5.217 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 8 12.777 6.939 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.469 5.559 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.828 5.797 -5.868 1.00 0.00 H new ATOM 123 N LYS A 9 12.062 3.766 -3.904 1.00 0.00 N ATOM 124 CA LYS A 9 10.966 2.780 -3.944 1.00 0.00 C ATOM 125 C LYS A 9 10.282 2.643 -2.591 1.00 0.00 C ATOM 126 O LYS A 9 9.054 2.591 -2.520 1.00 0.00 O ATOM 127 CB LYS A 9 11.441 1.390 -4.361 1.00 0.00 C ATOM 128 CG LYS A 9 12.543 1.404 -5.409 1.00 0.00 C ATOM 129 CD LYS A 9 12.771 0.026 -6.011 1.00 0.00 C ATOM 130 CE LYS A 9 13.168 -0.996 -4.958 1.00 0.00 C ATOM 131 NZ LYS A 9 13.351 -2.349 -5.546 1.00 0.00 N ATOM 0 H LYS A 9 12.995 3.365 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 9 10.267 3.163 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.799 0.859 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.592 0.828 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.283 2.107 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.469 1.761 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.862 -0.305 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.551 0.086 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.093 -0.681 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.402 -1.036 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.621 -3.019 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.461 -2.660 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.099 -2.316 -6.268 1.00 0.00 H new ATOM 145 N VAL A 10 11.082 2.578 -1.524 1.00 0.00 N ATOM 146 CA VAL A 10 10.550 2.373 -0.177 1.00 0.00 C ATOM 147 C VAL A 10 9.616 3.524 0.157 1.00 0.00 C ATOM 148 O VAL A 10 8.645 3.373 0.890 1.00 0.00 O ATOM 149 CB VAL A 10 11.668 2.251 0.896 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.255 3.602 1.270 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.146 1.541 2.134 1.00 0.00 C ATOM 0 H VAL A 10 12.097 2.664 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 10 10.009 1.427 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 10 12.470 1.658 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.032 3.466 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.686 4.069 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.469 4.242 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.943 1.465 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.314 2.106 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.806 0.541 1.864 1.00 0.00 H new ATOM 161 N GLU A 11 9.919 4.670 -0.439 1.00 0.00 N ATOM 162 CA GLU A 11 9.081 5.858 -0.300 1.00 0.00 C ATOM 163 C GLU A 11 7.843 5.786 -1.196 1.00 0.00 C ATOM 164 O GLU A 11 6.724 5.977 -0.719 1.00 0.00 O ATOM 165 CB GLU A 11 9.866 7.131 -0.617 1.00 0.00 C ATOM 166 CG GLU A 11 10.940 7.458 0.404 1.00 0.00 C ATOM 167 CD GLU A 11 11.512 8.844 0.211 1.00 0.00 C ATOM 168 OE1 GLU A 11 12.435 9.009 -0.607 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.044 9.783 0.885 1.00 0.00 O ATOM 0 H GLU A 11 10.742 4.804 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 11 8.755 5.891 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.330 7.026 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.171 7.969 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.521 7.377 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.742 6.723 0.333 1.00 0.00 H new ATOM 176 N GLU A 12 8.044 5.523 -2.491 1.00 0.00 N ATOM 177 CA GLU A 12 6.942 5.464 -3.454 1.00 0.00 C ATOM 178 C GLU A 12 5.853 4.494 -2.986 1.00 0.00 C ATOM 179 O GLU A 12 4.693 4.875 -2.796 1.00 0.00 O ATOM 180 CB GLU A 12 7.482 5.023 -4.817 1.00 0.00 C ATOM 181 CG GLU A 12 6.438 5.000 -5.920 1.00 0.00 C ATOM 182 CD GLU A 12 5.946 6.379 -6.288 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.662 7.095 -7.015 1.00 0.00 O ATOM 184 OE2 GLU A 12 4.834 6.750 -5.869 1.00 0.00 O ATOM 0 H GLU A 12 8.963 5.347 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 12 6.498 6.456 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.290 5.694 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.914 4.027 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.860 4.522 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.592 4.391 -5.601 1.00 0.00 H new ATOM 191 N LEU A 13 6.251 3.242 -2.817 1.00 0.00 N ATOM 192 CA LEU A 13 5.368 2.183 -2.339 1.00 0.00 C ATOM 193 C LEU A 13 4.694 2.548 -1.016 1.00 0.00 C ATOM 194 O LEU A 13 3.501 2.321 -0.851 1.00 0.00 O ATOM 195 CB LEU A 13 6.153 0.878 -2.175 1.00 0.00 C ATOM 196 CG LEU A 13 6.796 0.338 -3.455 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.645 -0.885 -3.147 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.731 -0.002 -4.488 1.00 0.00 C ATOM 0 H LEU A 13 7.202 2.928 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 13 4.584 2.053 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.936 1.035 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.482 0.117 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 13 7.441 1.113 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.095 -1.257 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.431 -0.614 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.018 -1.662 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.208 -0.384 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.060 -0.760 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.161 0.894 -4.731 1.00 0.00 H new ATOM 210 N LEU A 14 5.459 3.101 -0.076 1.00 0.00 N ATOM 211 CA LEU A 14 4.923 3.496 1.225 1.00 0.00 C ATOM 212 C LEU A 14 3.876 4.598 1.082 1.00 0.00 C ATOM 213 O LEU A 14 2.845 4.570 1.755 1.00 0.00 O ATOM 214 CB LEU A 14 6.044 3.952 2.167 1.00 0.00 C ATOM 215 CG LEU A 14 5.590 4.460 3.539 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.930 3.346 4.340 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.768 5.043 4.303 1.00 0.00 C ATOM 0 H LEU A 14 6.455 3.286 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 14 4.441 2.619 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.730 3.118 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.608 4.744 1.675 1.00 0.00 H new ATOM 0 HG LEU A 14 4.852 5.247 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.617 3.732 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.060 2.975 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.641 2.532 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.430 5.400 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.528 4.274 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.192 5.874 3.739 1.00 0.00 H new ATOM 229 N SER A 15 4.140 5.571 0.214 1.00 0.00 N ATOM 230 CA SER A 15 3.166 6.614 -0.059 1.00 0.00 C ATOM 231 C SER A 15 1.880 5.995 -0.607 1.00 0.00 C ATOM 232 O SER A 15 0.780 6.329 -0.164 1.00 0.00 O ATOM 233 CB SER A 15 3.739 7.634 -1.047 1.00 0.00 C ATOM 234 OG SER A 15 2.866 8.740 -1.210 1.00 0.00 O ATOM 0 H SER A 15 5.013 5.656 -0.306 1.00 0.00 H new ATOM 0 HA SER A 15 2.934 7.134 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.709 7.983 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.906 7.155 -2.012 1.00 0.00 H new ATOM 0 HG SER A 15 3.258 9.375 -1.845 1.00 0.00 H new ATOM 240 N LYS A 16 2.028 5.061 -1.543 1.00 0.00 N ATOM 241 CA LYS A 16 0.880 4.379 -2.127 1.00 0.00 C ATOM 242 C LYS A 16 0.193 3.509 -1.077 1.00 0.00 C ATOM 243 O LYS A 16 -1.032 3.457 -1.006 1.00 0.00 O ATOM 244 CB LYS A 16 1.316 3.527 -3.324 1.00 0.00 C ATOM 245 CG LYS A 16 0.165 2.830 -4.037 1.00 0.00 C ATOM 246 CD LYS A 16 0.661 1.959 -5.185 1.00 0.00 C ATOM 247 CE LYS A 16 -0.464 1.124 -5.787 1.00 0.00 C ATOM 248 NZ LYS A 16 0.032 0.179 -6.822 1.00 0.00 N ATOM 0 H LYS A 16 2.930 4.761 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 16 0.171 5.129 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.841 4.162 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.028 2.775 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.386 2.215 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.531 3.576 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.099 2.591 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.451 1.300 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.963 0.565 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.209 1.786 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.464 -0.730 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.147 0.574 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.054 0.031 -6.696 1.00 0.00 H new ATOM 262 N ASN A 17 1.003 2.832 -0.268 1.00 0.00 N ATOM 263 CA ASN A 17 0.513 2.005 0.831 1.00 0.00 C ATOM 264 C ASN A 17 -0.404 2.809 1.742 1.00 0.00 C ATOM 265 O ASN A 17 -1.524 2.391 2.036 1.00 0.00 O ATOM 266 CB ASN A 17 1.701 1.463 1.637 1.00 0.00 C ATOM 267 CG ASN A 17 1.286 0.571 2.800 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.259 -0.739 2.590 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 1.020 1.055 3.896 1.00 0.00 N flip ATOM 0 H ASN A 17 2.019 2.841 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.056 1.174 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.355 0.899 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.283 2.301 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.049 2.066 4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.770 0.446 4.675 1.00 0.00 H new ATOM 276 N TYR A 18 0.079 3.969 2.176 1.00 0.00 N ATOM 277 CA TYR A 18 -0.690 4.843 3.043 1.00 0.00 C ATOM 278 C TYR A 18 -2.016 5.229 2.394 1.00 0.00 C ATOM 279 O TYR A 18 -3.067 5.188 3.033 1.00 0.00 O ATOM 280 CB TYR A 18 0.115 6.096 3.364 1.00 0.00 C ATOM 281 CG TYR A 18 -0.055 6.547 4.789 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.777 6.059 5.782 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.048 7.447 5.144 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.627 6.452 7.092 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.206 7.848 6.455 1.00 0.00 C ATOM 286 CZ TYR A 18 -0.365 7.349 7.426 1.00 0.00 C ATOM 287 OH TYR A 18 -0.516 7.744 8.736 1.00 0.00 O ATOM 0 H TYR A 18 1.005 4.323 1.937 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.905 4.305 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.171 5.904 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.190 6.900 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.557 5.358 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.707 7.840 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.283 6.060 7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.984 8.549 6.719 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.259 8.380 8.802 1.00 0.00 H new ATOM 297 N HIS A 19 -1.957 5.591 1.116 1.00 0.00 N ATOM 298 CA HIS A 19 -3.152 5.984 0.376 1.00 0.00 C ATOM 299 C HIS A 19 -4.151 4.836 0.295 1.00 0.00 C ATOM 300 O HIS A 19 -5.346 5.030 0.517 1.00 0.00 O ATOM 301 CB HIS A 19 -2.790 6.472 -1.030 1.00 0.00 C ATOM 302 CG HIS A 19 -2.290 7.885 -1.068 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.236 8.475 -0.456 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 -2.894 8.875 -1.810 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 -1.224 9.793 -0.837 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 -2.236 10.007 -1.655 1.00 0.00 N flip ATOM 0 H HIS A 19 -1.095 5.620 0.571 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.619 6.806 0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.027 5.815 -1.448 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.668 6.389 -1.671 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.573 8.023 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.772 8.744 -2.425 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.504 10.533 -0.519 1.00 0.00 H new ATOM 315 N LEU A 20 -3.658 3.639 -0.005 1.00 0.00 N ATOM 316 CA LEU A 20 -4.517 2.464 -0.094 1.00 0.00 C ATOM 317 C LEU A 20 -5.176 2.173 1.247 1.00 0.00 C ATOM 318 O LEU A 20 -6.374 1.912 1.306 1.00 0.00 O ATOM 319 CB LEU A 20 -3.735 1.238 -0.568 1.00 0.00 C ATOM 320 CG LEU A 20 -3.117 1.359 -1.962 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.303 0.122 -2.286 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.198 1.574 -3.012 1.00 0.00 C ATOM 0 H LEU A 20 -2.672 3.457 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.293 2.681 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.939 1.035 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.401 0.375 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.454 2.224 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.869 0.222 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.505 0.009 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.949 -0.756 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.738 1.658 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.886 0.729 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.745 2.490 -2.789 1.00 0.00 H new ATOM 334 N GLU A 21 -4.395 2.250 2.321 1.00 0.00 N ATOM 335 CA GLU A 21 -4.904 1.957 3.656 1.00 0.00 C ATOM 336 C GLU A 21 -6.034 2.917 4.015 1.00 0.00 C ATOM 337 O GLU A 21 -7.030 2.525 4.631 1.00 0.00 O ATOM 338 CB GLU A 21 -3.787 2.073 4.699 1.00 0.00 C ATOM 339 CG GLU A 21 -3.950 1.135 5.888 1.00 0.00 C ATOM 340 CD GLU A 21 -2.985 1.444 7.013 1.00 0.00 C ATOM 341 OE1 GLU A 21 -3.418 2.032 8.026 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.792 1.103 6.898 1.00 0.00 O ATOM 0 H GLU A 21 -3.410 2.512 2.293 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.284 0.935 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.831 1.869 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.748 3.100 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.972 1.203 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.800 0.107 5.558 1.00 0.00 H new ATOM 349 N ASN A 22 -5.873 4.176 3.618 1.00 0.00 N ATOM 350 CA ASN A 22 -6.877 5.198 3.888 1.00 0.00 C ATOM 351 C ASN A 22 -8.149 4.935 3.095 1.00 0.00 C ATOM 352 O ASN A 22 -9.256 5.172 3.585 1.00 0.00 O ATOM 353 CB ASN A 22 -6.346 6.598 3.562 1.00 0.00 C ATOM 354 CG ASN A 22 -5.254 7.049 4.512 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.202 6.623 5.665 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.384 7.930 4.045 1.00 0.00 N ATOM 0 H ASN A 22 -5.056 4.512 3.108 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.108 5.152 4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.961 6.607 2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.170 7.311 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.638 8.279 4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.459 8.260 3.083 1.00 0.00 H new ATOM 363 N GLU A 23 -7.992 4.444 1.871 1.00 0.00 N ATOM 364 CA GLU A 23 -9.138 4.124 1.032 1.00 0.00 C ATOM 365 C GLU A 23 -9.849 2.878 1.540 1.00 0.00 C ATOM 366 O GLU A 23 -11.073 2.787 1.464 1.00 0.00 O ATOM 367 CB GLU A 23 -8.719 3.938 -0.426 1.00 0.00 C ATOM 368 CG GLU A 23 -8.218 5.214 -1.079 1.00 0.00 C ATOM 369 CD GLU A 23 -9.205 6.358 -0.953 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.935 7.300 -0.180 1.00 0.00 O ATOM 371 OE2 GLU A 23 -10.252 6.322 -1.625 1.00 0.00 O ATOM 0 H GLU A 23 -7.086 4.260 1.440 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.831 4.964 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.936 3.181 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.568 3.557 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.271 5.504 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.019 5.025 -2.134 1.00 0.00 H new ATOM 378 N VAL A 24 -9.082 1.925 2.062 1.00 0.00 N ATOM 379 CA VAL A 24 -9.662 0.729 2.663 1.00 0.00 C ATOM 380 C VAL A 24 -10.634 1.125 3.777 1.00 0.00 C ATOM 381 O VAL A 24 -11.810 0.765 3.750 1.00 0.00 O ATOM 382 CB VAL A 24 -8.583 -0.220 3.237 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.225 -1.399 3.950 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.660 -0.715 2.136 1.00 0.00 C ATOM 0 H VAL A 24 -8.063 1.957 2.081 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.190 0.194 1.874 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.992 0.343 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.447 -2.053 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.844 -1.035 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.844 -1.956 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.909 -1.381 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.242 -1.255 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.166 0.135 1.666 1.00 0.00 H new ATOM 394 N ALA A 25 -10.134 1.892 4.745 1.00 0.00 N ATOM 395 CA ALA A 25 -10.964 2.386 5.845 1.00 0.00 C ATOM 396 C ALA A 25 -12.150 3.204 5.329 1.00 0.00 C ATOM 397 O ALA A 25 -13.268 3.075 5.830 1.00 0.00 O ATOM 398 CB ALA A 25 -10.128 3.223 6.799 1.00 0.00 C ATOM 0 H ALA A 25 -9.158 2.185 4.791 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.360 1.521 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.757 3.584 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.322 2.613 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.705 4.072 6.263 1.00 0.00 H new ATOM 404 N ARG A 26 -11.892 4.042 4.329 1.00 0.00 N ATOM 405 CA ARG A 26 -12.925 4.856 3.697 1.00 0.00 C ATOM 406 C ARG A 26 -14.088 3.991 3.218 1.00 0.00 C ATOM 407 O ARG A 26 -15.238 4.198 3.608 1.00 0.00 O ATOM 408 CB ARG A 26 -12.317 5.609 2.511 1.00 0.00 C ATOM 409 CG ARG A 26 -13.302 6.469 1.736 1.00 0.00 C ATOM 410 CD ARG A 26 -12.651 7.055 0.492 1.00 0.00 C ATOM 411 NE ARG A 26 -13.548 7.956 -0.224 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.272 8.509 -1.404 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.138 8.221 -2.039 1.00 0.00 N ATOM 414 NH2 ARG A 26 -14.140 9.345 -1.957 1.00 0.00 N ATOM 0 H ARG A 26 -10.961 4.176 3.934 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.309 5.564 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.509 6.244 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.871 4.886 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.167 5.870 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.668 7.274 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.747 7.594 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.345 6.246 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.445 8.177 0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.471 7.571 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.936 8.650 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.014 9.562 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.933 9.771 -2.860 1.00 0.00 H new ATOM 428 N LEU A 27 -13.770 3.013 2.389 1.00 0.00 N ATOM 429 CA LEU A 27 -14.775 2.144 1.797 1.00 0.00 C ATOM 430 C LEU A 27 -15.486 1.286 2.849 1.00 0.00 C ATOM 431 O LEU A 27 -16.652 0.932 2.673 1.00 0.00 O ATOM 432 CB LEU A 27 -14.130 1.273 0.721 1.00 0.00 C ATOM 433 CG LEU A 27 -13.589 2.043 -0.482 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.710 1.151 -1.336 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.729 2.615 -1.313 1.00 0.00 C ATOM 0 H LEU A 27 -12.813 2.798 2.107 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.540 2.771 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.314 0.708 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.865 0.548 0.371 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.985 2.871 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.335 1.718 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.870 0.791 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.292 0.302 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.321 3.159 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.362 1.803 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.322 3.293 -0.699 1.00 0.00 H new ATOM 447 N LYS A 28 -14.802 0.977 3.949 1.00 0.00 N ATOM 448 CA LYS A 28 -15.406 0.196 5.024 1.00 0.00 C ATOM 449 C LYS A 28 -16.509 0.990 5.709 1.00 0.00 C ATOM 450 O LYS A 28 -17.625 0.498 5.876 1.00 0.00 O ATOM 451 CB LYS A 28 -14.361 -0.228 6.063 1.00 0.00 C ATOM 452 CG LYS A 28 -13.411 -1.321 5.595 1.00 0.00 C ATOM 453 CD LYS A 28 -12.430 -1.705 6.690 1.00 0.00 C ATOM 454 CE LYS A 28 -11.615 -2.926 6.299 1.00 0.00 C ATOM 455 NZ LYS A 28 -10.697 -3.354 7.386 1.00 0.00 N ATOM 0 H LYS A 28 -13.835 1.254 4.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.832 -0.701 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.776 0.646 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.877 -0.572 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.983 -2.198 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.864 -0.979 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.761 -0.868 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.973 -1.908 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.288 -3.746 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.036 -2.704 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.160 -4.190 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.037 -2.581 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.250 -3.591 8.234 1.00 0.00 H new ATOM 469 N LYS A 29 -16.203 2.228 6.086 1.00 0.00 N ATOM 470 CA LYS A 29 -17.185 3.086 6.736 1.00 0.00 C ATOM 471 C LYS A 29 -18.235 3.572 5.737 1.00 0.00 C ATOM 472 O LYS A 29 -19.143 4.316 6.095 1.00 0.00 O ATOM 473 CB LYS A 29 -16.507 4.270 7.426 1.00 0.00 C ATOM 474 CG LYS A 29 -15.912 5.296 6.480 1.00 0.00 C ATOM 475 CD LYS A 29 -15.177 6.374 7.251 1.00 0.00 C ATOM 476 CE LYS A 29 -14.768 7.532 6.357 1.00 0.00 C ATOM 477 NZ LYS A 29 -15.941 8.302 5.866 1.00 0.00 N ATOM 0 H LYS A 29 -15.287 2.657 5.953 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.691 2.494 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.236 4.766 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.717 3.892 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.227 4.806 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.703 5.746 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.814 6.743 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.290 5.945 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.103 8.197 6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.204 7.151 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.620 9.206 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.434 7.753 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.591 8.486 6.657 1.00 0.00 H new ATOM 491 N LEU A 30 -18.090 3.176 4.478 1.00 0.00 N ATOM 492 CA LEU A 30 -19.123 3.427 3.481 1.00 0.00 C ATOM 493 C LEU A 30 -20.047 2.217 3.342 1.00 0.00 C ATOM 494 O LEU A 30 -21.262 2.329 3.526 1.00 0.00 O ATOM 495 CB LEU A 30 -18.499 3.764 2.123 1.00 0.00 C ATOM 496 CG LEU A 30 -17.782 5.115 2.044 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.129 5.292 0.683 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.758 6.249 2.312 1.00 0.00 C ATOM 0 H LEU A 30 -17.271 2.682 4.125 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.711 4.281 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.788 2.979 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.284 3.744 1.367 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.004 5.137 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.624 6.257 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.402 4.496 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.892 5.250 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.233 7.202 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.555 6.226 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.187 6.133 3.307 1.00 0.00 H new ATOM 510 N VAL A 31 -19.468 1.059 3.026 1.00 0.00 N ATOM 511 CA VAL A 31 -20.242 -0.158 2.811 1.00 0.00 C ATOM 512 C VAL A 31 -20.871 -0.694 4.107 1.00 0.00 C ATOM 513 O VAL A 31 -21.948 -1.288 4.073 1.00 0.00 O ATOM 514 CB VAL A 31 -19.373 -1.261 2.160 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.297 -1.763 3.113 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.238 -2.409 1.669 1.00 0.00 C ATOM 0 H VAL A 31 -18.461 0.941 2.913 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.053 0.111 2.134 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.869 -0.818 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.707 -2.536 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.647 -0.935 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.766 -2.177 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.606 -3.172 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.781 -2.840 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.948 -2.039 0.929 1.00 0.00 H new ATOM 526 N GLY A 32 -20.220 -0.476 5.245 1.00 0.00 N ATOM 527 CA GLY A 32 -20.714 -1.034 6.489 1.00 0.00 C ATOM 528 C GLY A 32 -21.384 -0.004 7.372 1.00 0.00 C ATOM 529 O GLY A 32 -21.534 -0.213 8.575 1.00 0.00 O ATOM 0 H GLY A 32 -19.365 0.074 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.423 -1.831 6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -19.885 -1.487 7.033 1.00 0.00 H new ATOM 533 N GLU A 33 -21.791 1.106 6.782 1.00 0.00 N ATOM 534 CA GLU A 33 -22.425 2.171 7.539 1.00 0.00 C ATOM 535 C GLU A 33 -23.818 2.441 6.990 1.00 0.00 C ATOM 536 O GLU A 33 -24.786 1.868 7.523 1.00 0.00 O ATOM 537 CB GLU A 33 -21.567 3.435 7.483 1.00 0.00 C ATOM 538 CG GLU A 33 -21.964 4.496 8.494 1.00 0.00 C ATOM 539 CD GLU A 33 -21.915 3.985 9.916 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.991 3.725 10.493 1.00 0.00 O ATOM 541 OE2 GLU A 33 -20.802 3.824 10.459 1.00 0.00 O ATOM 542 OXT GLU A 33 -23.940 3.204 6.010 1.00 0.00 O ATOM 0 H GLU A 33 -21.694 1.293 5.784 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.518 1.864 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.525 3.162 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.630 3.860 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.299 5.354 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.972 4.847 8.272 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.850 -5.616 3.491 1.00 0.00 N ATOM 551 CA GLY B 1 25.511 -4.175 3.517 1.00 0.00 C ATOM 552 C GLY B 1 24.152 -3.926 4.135 1.00 0.00 C ATOM 553 O GLY B 1 23.480 -4.862 4.567 1.00 0.00 O ATOM 0 H1 GLY B 1 26.626 -5.802 4.158 1.00 0.00 H new ATOM 0 H2 GLY B 1 25.016 -6.174 3.766 1.00 0.00 H new ATOM 0 H3 GLY B 1 26.146 -5.886 2.531 1.00 0.00 H new ATOM 0 HA2 GLY B 1 26.271 -3.633 4.080 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.526 -3.780 2.501 1.00 0.00 H new ATOM 559 N SER B 2 23.736 -2.667 4.166 1.00 0.00 N ATOM 560 CA SER B 2 22.463 -2.301 4.765 1.00 0.00 C ATOM 561 C SER B 2 21.328 -2.425 3.754 1.00 0.00 C ATOM 562 O SER B 2 20.177 -2.122 4.064 1.00 0.00 O ATOM 563 CB SER B 2 22.525 -0.873 5.296 1.00 0.00 C ATOM 564 OG SER B 2 23.735 -0.645 6.000 1.00 0.00 O ATOM 0 H SER B 2 24.263 -1.883 3.783 1.00 0.00 H new ATOM 0 HA SER B 2 22.268 -2.986 5.590 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.444 -0.169 4.468 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.676 -0.689 5.955 1.00 0.00 H new ATOM 0 HG SER B 2 23.753 0.278 6.330 1.00 0.00 H new ATOM 570 N MET B 3 21.653 -2.877 2.544 1.00 0.00 N ATOM 571 CA MET B 3 20.641 -3.071 1.511 1.00 0.00 C ATOM 572 C MET B 3 19.595 -4.066 1.986 1.00 0.00 C ATOM 573 O MET B 3 18.415 -3.926 1.684 1.00 0.00 O ATOM 574 CB MET B 3 21.267 -3.567 0.207 1.00 0.00 C ATOM 575 CG MET B 3 22.261 -2.599 -0.411 1.00 0.00 C ATOM 576 SD MET B 3 22.920 -3.199 -1.980 1.00 0.00 S ATOM 577 CE MET B 3 24.081 -1.892 -2.374 1.00 0.00 C ATOM 0 H MET B 3 22.603 -3.114 2.257 1.00 0.00 H new ATOM 0 HA MET B 3 20.169 -2.107 1.320 1.00 0.00 H new ATOM 0 HB2 MET B 3 21.769 -4.516 0.395 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.473 -3.764 -0.513 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.776 -1.636 -0.568 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.083 -2.432 0.285 1.00 0.00 H new ATOM 0 HE1 MET B 3 24.547 -2.098 -3.338 1.00 0.00 H new ATOM 0 HE2 MET B 3 23.554 -0.939 -2.422 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.849 -1.843 -1.602 1.00 0.00 H new ATOM 587 N LYS B 4 20.041 -5.058 2.753 1.00 0.00 N ATOM 588 CA LYS B 4 19.142 -6.055 3.326 1.00 0.00 C ATOM 589 C LYS B 4 18.104 -5.404 4.234 1.00 0.00 C ATOM 590 O LYS B 4 16.962 -5.856 4.309 1.00 0.00 O ATOM 591 CB LYS B 4 19.930 -7.095 4.122 1.00 0.00 C ATOM 592 CG LYS B 4 20.892 -7.918 3.281 1.00 0.00 C ATOM 593 CD LYS B 4 21.584 -8.991 4.112 1.00 0.00 C ATOM 594 CE LYS B 4 20.586 -9.980 4.694 1.00 0.00 C ATOM 595 NZ LYS B 4 21.251 -11.050 5.480 1.00 0.00 N ATOM 0 H LYS B 4 21.023 -5.192 2.992 1.00 0.00 H new ATOM 0 HA LYS B 4 18.627 -6.545 2.500 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.492 -6.588 4.907 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.229 -7.767 4.616 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.350 -8.386 2.460 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.640 -7.262 2.836 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.305 -9.523 3.492 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.144 -8.521 4.920 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.880 -9.448 5.332 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.009 -10.430 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.533 -11.701 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.906 -11.575 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.780 -10.624 6.267 1.00 0.00 H new ATOM 609 N GLN B 5 18.500 -4.335 4.919 1.00 0.00 N ATOM 610 CA GLN B 5 17.601 -3.649 5.837 1.00 0.00 C ATOM 611 C GLN B 5 16.497 -2.959 5.056 1.00 0.00 C ATOM 612 O GLN B 5 15.324 -3.041 5.408 1.00 0.00 O ATOM 613 CB GLN B 5 18.365 -2.625 6.680 1.00 0.00 C ATOM 614 CG GLN B 5 19.571 -3.203 7.406 1.00 0.00 C ATOM 615 CD GLN B 5 19.218 -4.343 8.344 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.035 -4.296 8.934 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 20.017 -5.258 8.546 1.00 0.00 N flip ATOM 0 H GLN B 5 19.433 -3.928 4.855 1.00 0.00 H new ATOM 0 HA GLN B 5 17.161 -4.387 6.508 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.697 -1.812 6.034 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.685 -2.192 7.413 1.00 0.00 H new ATOM 0 HG2 GLN B 5 20.293 -3.557 6.671 1.00 0.00 H new ATOM 0 HG3 GLN B 5 20.058 -2.411 7.975 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.920 -5.260 8.072 1.00 0.00 H new ATOM 0 HE22 GLN B 5 19.775 -6.014 9.187 1.00 0.00 H new ATOM 626 N LEU B 6 16.886 -2.310 3.969 1.00 0.00 N ATOM 627 CA LEU B 6 15.935 -1.594 3.129 1.00 0.00 C ATOM 628 C LEU B 6 15.088 -2.579 2.333 1.00 0.00 C ATOM 629 O LEU B 6 13.909 -2.335 2.078 1.00 0.00 O ATOM 630 CB LEU B 6 16.657 -0.629 2.178 1.00 0.00 C ATOM 631 CG LEU B 6 17.475 0.483 2.849 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.136 1.364 1.804 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.595 1.319 3.765 1.00 0.00 C ATOM 0 H LEU B 6 17.853 -2.264 3.647 1.00 0.00 H new ATOM 0 HA LEU B 6 15.284 -1.009 3.778 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.323 -1.209 1.539 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.915 -0.166 1.528 1.00 0.00 H new ATOM 0 HG LEU B 6 18.254 0.016 3.452 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.711 2.146 2.299 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.801 0.760 1.187 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.371 1.819 1.175 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.194 2.101 4.231 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.793 1.774 3.184 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.166 0.682 4.538 1.00 0.00 H new ATOM 645 N GLU B 7 15.696 -3.699 1.956 1.00 0.00 N ATOM 646 CA GLU B 7 15.021 -4.707 1.159 1.00 0.00 C ATOM 647 C GLU B 7 13.933 -5.408 1.972 1.00 0.00 C ATOM 648 O GLU B 7 12.862 -5.706 1.451 1.00 0.00 O ATOM 649 CB GLU B 7 16.040 -5.723 0.624 1.00 0.00 C ATOM 650 CG GLU B 7 15.520 -6.602 -0.505 1.00 0.00 C ATOM 651 CD GLU B 7 16.538 -7.632 -0.947 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.443 -7.280 -1.731 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.435 -8.799 -0.523 1.00 0.00 O ATOM 0 H GLU B 7 16.661 -3.929 2.193 1.00 0.00 H new ATOM 0 HA GLU B 7 14.540 -4.215 0.314 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.921 -5.185 0.273 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.363 -6.362 1.446 1.00 0.00 H new ATOM 0 HG2 GLU B 7 14.612 -7.109 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.248 -5.975 -1.354 1.00 0.00 H new ATOM 660 N ASP B 8 14.200 -5.661 3.249 1.00 0.00 N ATOM 661 CA ASP B 8 13.189 -6.243 4.132 1.00 0.00 C ATOM 662 C ASP B 8 11.951 -5.356 4.182 1.00 0.00 C ATOM 663 O ASP B 8 10.820 -5.834 4.088 1.00 0.00 O ATOM 664 CB ASP B 8 13.736 -6.439 5.548 1.00 0.00 C ATOM 665 CG ASP B 8 14.066 -7.888 5.858 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.255 -8.262 5.803 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.136 -8.658 6.176 1.00 0.00 O ATOM 0 H ASP B 8 15.098 -5.475 3.695 1.00 0.00 H new ATOM 0 HA ASP B 8 12.919 -7.218 3.726 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.633 -5.833 5.673 1.00 0.00 H new ATOM 0 HB3 ASP B 8 13.003 -6.076 6.269 1.00 0.00 H new ATOM 672 N LYS B 9 12.177 -4.058 4.323 1.00 0.00 N ATOM 673 CA LYS B 9 11.067 -3.090 4.381 1.00 0.00 C ATOM 674 C LYS B 9 10.361 -2.961 3.039 1.00 0.00 C ATOM 675 O LYS B 9 9.131 -2.924 2.986 1.00 0.00 O ATOM 676 CB LYS B 9 11.529 -1.696 4.794 1.00 0.00 C ATOM 677 CG LYS B 9 12.649 -1.698 5.825 1.00 0.00 C ATOM 678 CD LYS B 9 12.866 -0.319 6.425 1.00 0.00 C ATOM 679 CE LYS B 9 13.229 0.709 5.367 1.00 0.00 C ATOM 680 NZ LYS B 9 13.411 2.060 5.952 1.00 0.00 N ATOM 0 H LYS B 9 13.106 -3.644 4.400 1.00 0.00 H new ATOM 0 HA LYS B 9 10.383 -3.485 5.132 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.865 -1.158 3.908 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.678 -1.146 5.197 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.411 -2.406 6.619 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.572 -2.041 5.358 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.961 -0.002 6.943 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.660 -0.368 7.171 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.146 0.404 4.864 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.446 0.743 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.658 2.734 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.528 2.362 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.175 2.033 6.657 1.00 0.00 H new ATOM 694 N VAL B 10 11.142 -2.886 1.959 1.00 0.00 N ATOM 695 CA VAL B 10 10.586 -2.688 0.621 1.00 0.00 C ATOM 696 C VAL B 10 9.666 -3.855 0.302 1.00 0.00 C ATOM 697 O VAL B 10 8.683 -3.719 -0.420 1.00 0.00 O ATOM 698 CB VAL B 10 11.686 -2.550 -0.468 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.285 -3.892 -0.854 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.134 -1.846 -1.696 1.00 0.00 C ATOM 0 H VAL B 10 12.159 -2.959 1.986 1.00 0.00 H new ATOM 0 HA VAL B 10 10.030 -1.750 0.616 1.00 0.00 H new ATOM 0 HB VAL B 10 12.487 -1.948 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL B 10 13.049 -3.744 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.735 -4.356 0.024 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.502 -4.541 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL B 10 11.918 -1.758 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL B 10 10.303 -2.422 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.784 -0.852 -1.419 1.00 0.00 H new ATOM 710 N GLU B 11 9.995 -4.994 0.894 1.00 0.00 N ATOM 711 CA GLU B 11 9.175 -6.197 0.767 1.00 0.00 C ATOM 712 C GLU B 11 7.948 -6.145 1.679 1.00 0.00 C ATOM 713 O GLU B 11 6.826 -6.349 1.215 1.00 0.00 O ATOM 714 CB GLU B 11 9.985 -7.458 1.070 1.00 0.00 C ATOM 715 CG GLU B 11 11.049 -7.767 0.033 1.00 0.00 C ATOM 716 CD GLU B 11 11.649 -9.144 0.216 1.00 0.00 C ATOM 717 OE1 GLU B 11 12.584 -9.294 1.030 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.178 -10.088 -0.456 1.00 0.00 O ATOM 0 H GLU B 11 10.828 -5.114 1.471 1.00 0.00 H new ATOM 0 HA GLU B 11 8.836 -6.235 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.462 -7.347 2.044 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.305 -8.307 1.143 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.614 -7.693 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.839 -7.018 0.093 1.00 0.00 H new ATOM 725 N GLU B 12 8.166 -5.882 2.973 1.00 0.00 N ATOM 726 CA GLU B 12 7.077 -5.836 3.952 1.00 0.00 C ATOM 727 C GLU B 12 5.970 -4.879 3.502 1.00 0.00 C ATOM 728 O GLU B 12 4.813 -5.273 3.330 1.00 0.00 O ATOM 729 CB GLU B 12 7.629 -5.388 5.309 1.00 0.00 C ATOM 730 CG GLU B 12 6.603 -5.391 6.429 1.00 0.00 C ATOM 731 CD GLU B 12 6.141 -6.786 6.791 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.897 -7.507 7.473 1.00 0.00 O ATOM 733 OE2 GLU B 12 5.018 -7.167 6.401 1.00 0.00 O ATOM 0 H GLU B 12 9.089 -5.698 3.366 1.00 0.00 H new ATOM 0 HA GLU B 12 6.648 -6.834 4.038 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.456 -6.042 5.587 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.038 -4.383 5.209 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.031 -4.914 7.310 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.742 -4.793 6.130 1.00 0.00 H new ATOM 740 N LEU B 13 6.347 -3.622 3.329 1.00 0.00 N ATOM 741 CA LEU B 13 5.440 -2.575 2.867 1.00 0.00 C ATOM 742 C LEU B 13 4.751 -2.947 1.554 1.00 0.00 C ATOM 743 O LEU B 13 3.552 -2.733 1.407 1.00 0.00 O ATOM 744 CB LEU B 13 6.202 -1.259 2.693 1.00 0.00 C ATOM 745 CG LEU B 13 6.856 -0.712 3.963 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.682 0.523 3.646 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.804 -0.390 5.014 1.00 0.00 C ATOM 0 H LEU B 13 7.297 -3.294 3.506 1.00 0.00 H new ATOM 0 HA LEU B 13 4.667 -2.459 3.626 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.975 -1.403 1.938 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.514 -0.508 2.305 1.00 0.00 H new ATOM 0 HG LEU B 13 7.518 -1.480 4.364 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.140 0.899 4.561 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.462 0.265 2.929 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.038 1.292 3.220 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.291 -0.002 5.909 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.115 0.359 4.622 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.251 -1.295 5.265 1.00 0.00 H new ATOM 759 N LEU B 14 5.508 -3.491 0.602 1.00 0.00 N ATOM 760 CA LEU B 14 4.955 -3.889 -0.692 1.00 0.00 C ATOM 761 C LEU B 14 3.924 -5.001 -0.527 1.00 0.00 C ATOM 762 O LEU B 14 2.870 -4.970 -1.164 1.00 0.00 O ATOM 763 CB LEU B 14 6.065 -4.333 -1.653 1.00 0.00 C ATOM 764 CG LEU B 14 5.594 -4.846 -3.017 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.906 -3.741 -3.807 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.769 -5.412 -3.802 1.00 0.00 C ATOM 0 H LEU B 14 6.508 -3.666 0.703 1.00 0.00 H new ATOM 0 HA LEU B 14 4.458 -3.018 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.739 -3.492 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.646 -5.119 -1.170 1.00 0.00 H new ATOM 0 HG LEU B 14 4.869 -5.642 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.581 -4.131 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.040 -3.381 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.603 -2.918 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.420 -5.773 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.515 -4.632 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.214 -6.237 -3.246 1.00 0.00 H new ATOM 778 N SER B 15 4.218 -5.978 0.329 1.00 0.00 N ATOM 779 CA SER B 15 3.265 -7.036 0.616 1.00 0.00 C ATOM 780 C SER B 15 1.978 -6.435 1.182 1.00 0.00 C ATOM 781 O SER B 15 0.877 -6.779 0.753 1.00 0.00 O ATOM 782 CB SER B 15 3.870 -8.047 1.596 1.00 0.00 C ATOM 783 OG SER B 15 3.028 -9.176 1.754 1.00 0.00 O ATOM 0 H SER B 15 5.103 -6.055 0.830 1.00 0.00 H new ATOM 0 HA SER B 15 3.027 -7.562 -0.309 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.847 -8.367 1.235 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.028 -7.570 2.563 1.00 0.00 H new ATOM 0 HG SER B 15 3.439 -9.805 2.383 1.00 0.00 H new ATOM 789 N LYS B 16 2.128 -5.502 2.119 1.00 0.00 N ATOM 790 CA LYS B 16 0.978 -4.838 2.723 1.00 0.00 C ATOM 791 C LYS B 16 0.261 -3.976 1.685 1.00 0.00 C ATOM 792 O LYS B 16 -0.966 -3.942 1.633 1.00 0.00 O ATOM 793 CB LYS B 16 1.421 -3.976 3.913 1.00 0.00 C ATOM 794 CG LYS B 16 0.273 -3.298 4.644 1.00 0.00 C ATOM 795 CD LYS B 16 0.774 -2.421 5.785 1.00 0.00 C ATOM 796 CE LYS B 16 -0.353 -1.608 6.406 1.00 0.00 C ATOM 797 NZ LYS B 16 0.144 -0.654 7.430 1.00 0.00 N ATOM 0 H LYS B 16 3.032 -5.190 2.475 1.00 0.00 H new ATOM 0 HA LYS B 16 0.287 -5.600 3.084 1.00 0.00 H new ATOM 0 HB2 LYS B 16 1.969 -4.601 4.618 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.114 -3.213 3.558 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.298 -2.691 3.942 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.406 -4.055 5.037 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.236 -3.046 6.549 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.547 -1.748 5.414 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.877 -1.059 5.624 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.078 -2.283 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.321 0.267 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.071 -1.021 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.173 -0.539 7.328 1.00 0.00 H new ATOM 811 N ASN B 17 1.048 -3.286 0.862 1.00 0.00 N ATOM 812 CA ASN B 17 0.529 -2.466 -0.227 1.00 0.00 C ATOM 813 C ASN B 17 -0.390 -3.283 -1.124 1.00 0.00 C ATOM 814 O ASN B 17 -1.519 -2.880 -1.402 1.00 0.00 O ATOM 815 CB ASN B 17 1.694 -1.905 -1.053 1.00 0.00 C ATOM 816 CG ASN B 17 1.241 -1.019 -2.208 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.204 0.292 -1.998 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 0.953 -1.509 -3.298 1.00 0.00 N flip ATOM 0 H ASN B 17 2.066 -3.281 0.933 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.044 -1.644 0.200 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.351 -1.331 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.282 -2.733 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.991 -2.520 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.676 -0.905 -4.072 1.00 0.00 H new ATOM 825 N TYR B 18 0.103 -4.434 -1.565 1.00 0.00 N ATOM 826 CA TYR B 18 -0.663 -5.321 -2.419 1.00 0.00 C ATOM 827 C TYR B 18 -1.974 -5.727 -1.750 1.00 0.00 C ATOM 828 O TYR B 18 -3.036 -5.693 -2.372 1.00 0.00 O ATOM 829 CB TYR B 18 0.158 -6.560 -2.752 1.00 0.00 C ATOM 830 CG TYR B 18 -0.029 -7.015 -4.173 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.782 -6.518 -5.180 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.017 -7.925 -4.513 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.614 -6.912 -6.489 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.191 -8.328 -5.820 1.00 0.00 C ATOM 835 CZ TYR B 18 -0.374 -7.819 -6.804 1.00 0.00 C ATOM 836 OH TYR B 18 -0.548 -8.217 -8.111 1.00 0.00 O ATOM 0 H TYR B 18 1.038 -4.773 -1.340 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.901 -4.788 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.213 -6.349 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.121 -7.368 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.559 -5.809 -4.935 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.660 -8.324 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.252 -6.513 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.964 -9.039 -6.070 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.286 -8.860 -8.162 1.00 0.00 H new ATOM 846 N HIS B 19 -1.891 -6.090 -0.475 1.00 0.00 N ATOM 847 CA HIS B 19 -3.068 -6.500 0.284 1.00 0.00 C ATOM 848 C HIS B 19 -4.080 -5.364 0.382 1.00 0.00 C ATOM 849 O HIS B 19 -5.277 -5.573 0.178 1.00 0.00 O ATOM 850 CB HIS B 19 -2.678 -6.984 1.685 1.00 0.00 C ATOM 851 CG HIS B 19 -2.156 -8.389 1.717 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.097 -8.960 1.095 1.00 0.00 N flip ATOM 853 CD2 HIS B 19 -2.739 -9.391 2.464 1.00 0.00 C flip ATOM 854 CE1 HIS B 19 -1.061 -10.278 1.474 1.00 0.00 C flip ATOM 855 NE2 HIS B 19 -2.060 -10.511 2.302 1.00 0.00 N flip ATOM 0 H HIS B 19 -1.020 -6.109 0.056 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.532 -7.329 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.920 -6.315 2.092 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.548 -6.915 2.338 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.446 -8.496 0.462 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.615 -9.277 3.085 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.333 -11.006 1.147 1.00 0.00 H new ATOM 864 N LEU B 20 -3.599 -4.161 0.676 1.00 0.00 N ATOM 865 CA LEU B 20 -4.475 -3.001 0.781 1.00 0.00 C ATOM 866 C LEU B 20 -5.157 -2.719 -0.548 1.00 0.00 C ATOM 867 O LEU B 20 -6.360 -2.479 -0.590 1.00 0.00 O ATOM 868 CB LEU B 20 -3.704 -1.762 1.245 1.00 0.00 C ATOM 869 CG LEU B 20 -3.061 -1.875 2.629 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.261 -0.625 2.942 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.119 -2.108 3.697 1.00 0.00 C ATOM 0 H LEU B 20 -2.612 -3.965 0.845 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.236 -3.231 1.527 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.923 -1.546 0.516 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.384 -0.910 1.246 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.385 -2.730 2.624 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.809 -0.720 3.930 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.477 -0.498 2.195 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.921 0.243 2.926 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.640 -2.185 4.673 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.821 -1.274 3.702 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.656 -3.032 3.482 1.00 0.00 H new ATOM 883 N GLU B 21 -4.393 -2.781 -1.634 1.00 0.00 N ATOM 884 CA GLU B 21 -4.930 -2.498 -2.960 1.00 0.00 C ATOM 885 C GLU B 21 -6.051 -3.475 -3.298 1.00 0.00 C ATOM 886 O GLU B 21 -7.067 -3.097 -3.884 1.00 0.00 O ATOM 887 CB GLU B 21 -3.829 -2.596 -4.023 1.00 0.00 C ATOM 888 CG GLU B 21 -4.029 -1.661 -5.207 1.00 0.00 C ATOM 889 CD GLU B 21 -3.086 -1.956 -6.352 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.537 -2.542 -7.361 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.894 -1.604 -6.258 1.00 0.00 O ATOM 0 H GLU B 21 -3.402 -3.024 -1.622 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.327 -1.483 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.868 -2.377 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.780 -3.622 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.057 -1.743 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.885 -0.631 -4.880 1.00 0.00 H new ATOM 898 N ASN B 22 -5.864 -4.731 -2.913 1.00 0.00 N ATOM 899 CA ASN B 22 -6.858 -5.765 -3.170 1.00 0.00 C ATOM 900 C ASN B 22 -8.123 -5.519 -2.357 1.00 0.00 C ATOM 901 O ASN B 22 -9.234 -5.758 -2.837 1.00 0.00 O ATOM 902 CB ASN B 22 -6.301 -7.156 -2.860 1.00 0.00 C ATOM 903 CG ASN B 22 -5.215 -7.582 -3.828 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.179 -7.139 -4.978 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.330 -8.459 -3.379 1.00 0.00 N ATOM 0 H ASN B 22 -5.032 -5.058 -2.421 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.109 -5.721 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.902 -7.165 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.113 -7.883 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -3.585 -8.791 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.393 -8.802 -2.421 1.00 0.00 H new ATOM 912 N GLU B 23 -7.954 -5.031 -1.132 1.00 0.00 N ATOM 913 CA GLU B 23 -9.092 -4.729 -0.273 1.00 0.00 C ATOM 914 C GLU B 23 -9.830 -3.493 -0.768 1.00 0.00 C ATOM 915 O GLU B 23 -11.056 -3.422 -0.676 1.00 0.00 O ATOM 916 CB GLU B 23 -8.653 -4.535 1.179 1.00 0.00 C ATOM 917 CG GLU B 23 -8.122 -5.802 1.826 1.00 0.00 C ATOM 918 CD GLU B 23 -9.092 -6.963 1.715 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.825 -7.891 0.921 1.00 0.00 O ATOM 920 OE2 GLU B 23 -10.126 -6.953 2.418 1.00 0.00 O ATOM 0 H GLU B 23 -7.044 -4.837 -0.714 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.771 -5.581 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.881 -3.766 1.217 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.499 -4.167 1.760 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.177 -6.077 1.357 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.912 -5.608 2.878 1.00 0.00 H new ATOM 927 N VAL B 24 -9.084 -2.525 -1.301 1.00 0.00 N ATOM 928 CA VAL B 24 -9.692 -1.337 -1.889 1.00 0.00 C ATOM 929 C VAL B 24 -10.674 -1.745 -2.989 1.00 0.00 C ATOM 930 O VAL B 24 -11.854 -1.402 -2.944 1.00 0.00 O ATOM 931 CB VAL B 24 -8.635 -0.372 -2.479 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.305 0.801 -3.179 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.702 0.135 -1.394 1.00 0.00 C ATOM 0 H VAL B 24 -8.065 -2.542 -1.337 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.217 -0.812 -1.091 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.049 -0.927 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.543 1.466 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.933 0.431 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.920 1.348 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.968 0.811 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.279 0.667 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.188 -0.708 -0.933 1.00 0.00 H new ATOM 943 N ALA B 25 -10.179 -2.504 -3.966 1.00 0.00 N ATOM 944 CA ALA B 25 -11.019 -3.006 -5.052 1.00 0.00 C ATOM 945 C ALA B 25 -12.185 -3.840 -4.518 1.00 0.00 C ATOM 946 O ALA B 25 -13.313 -3.724 -5.001 1.00 0.00 O ATOM 947 CB ALA B 25 -10.190 -3.830 -6.022 1.00 0.00 C ATOM 0 H ALA B 25 -9.200 -2.785 -4.027 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.433 -2.145 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.829 -4.197 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.399 -3.210 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.747 -4.675 -5.495 1.00 0.00 H new ATOM 953 N ARG B 26 -11.899 -4.678 -3.523 1.00 0.00 N ATOM 954 CA ARG B 26 -12.909 -5.508 -2.877 1.00 0.00 C ATOM 955 C ARG B 26 -14.077 -4.660 -2.380 1.00 0.00 C ATOM 956 O ARG B 26 -15.230 -4.878 -2.755 1.00 0.00 O ATOM 957 CB ARG B 26 -12.271 -6.253 -1.700 1.00 0.00 C ATOM 958 CG ARG B 26 -13.232 -7.126 -0.910 1.00 0.00 C ATOM 959 CD ARG B 26 -12.553 -7.707 0.320 1.00 0.00 C ATOM 960 NE ARG B 26 -13.424 -8.619 1.052 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.115 -9.173 2.222 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.973 -8.870 2.830 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.959 -10.017 2.794 1.00 0.00 N ATOM 0 H ARG B 26 -10.960 -4.799 -3.143 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.294 -6.222 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.461 -6.877 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -11.824 -5.524 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.099 -6.538 -0.608 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.600 -7.934 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.649 -8.235 0.018 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.243 -6.896 0.979 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.329 -8.847 0.641 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.326 -8.209 2.400 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.743 -9.299 3.727 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -14.843 -10.241 2.338 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.725 -10.443 3.691 1.00 0.00 H new ATOM 977 N LEU B 27 -13.760 -3.680 -1.551 1.00 0.00 N ATOM 978 CA LEU B 27 -14.768 -2.825 -0.942 1.00 0.00 C ATOM 979 C LEU B 27 -15.508 -1.977 -1.981 1.00 0.00 C ATOM 980 O LEU B 27 -16.675 -1.639 -1.785 1.00 0.00 O ATOM 981 CB LEU B 27 -14.117 -1.945 0.123 1.00 0.00 C ATOM 982 CG LEU B 27 -13.545 -2.709 1.317 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.666 -1.805 2.158 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.663 -3.299 2.164 1.00 0.00 C ATOM 0 H LEU B 27 -12.803 -3.454 -1.281 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.516 -3.463 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.316 -1.369 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.855 -1.230 0.486 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.934 -3.527 0.935 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.269 -2.367 3.003 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.842 -1.432 1.551 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.255 -0.965 2.526 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.234 -3.839 3.008 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.302 -2.497 2.533 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.255 -3.985 1.558 1.00 0.00 H new ATOM 996 N LYS B 28 -14.846 -1.658 -3.092 1.00 0.00 N ATOM 997 CA LYS B 28 -15.479 -0.885 -4.157 1.00 0.00 C ATOM 998 C LYS B 28 -16.580 -1.693 -4.827 1.00 0.00 C ATOM 999 O LYS B 28 -17.703 -1.215 -4.989 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.456 -0.447 -5.212 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.513 0.655 -4.757 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.556 1.057 -5.867 1.00 0.00 C ATOM 1003 CE LYS B 28 -11.759 2.294 -5.491 1.00 0.00 C ATOM 1004 NZ LYS B 28 -10.872 2.746 -6.596 1.00 0.00 N ATOM 0 H LYS B 28 -13.878 -1.921 -3.277 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.912 0.004 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.865 -1.314 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.991 -0.107 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.091 1.523 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.946 0.316 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.874 0.233 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.117 1.248 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.444 3.099 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.157 2.082 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.347 3.592 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.200 1.988 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.447 2.974 -7.432 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.260 -2.923 -5.209 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.241 -3.796 -5.841 1.00 0.00 C ATOM 1020 C LYS B 29 -18.267 -4.298 -4.827 1.00 0.00 C ATOM 1021 O LYS B 29 -19.169 -5.054 -5.170 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.559 -4.971 -6.545 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.933 -5.991 -5.612 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.197 -7.056 -6.400 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.751 -8.208 -5.515 1.00 0.00 C ATOM 1026 NZ LYS B 29 -15.902 -8.995 -5.001 1.00 0.00 N ATOM 0 H LYS B 29 -15.335 -3.337 -5.093 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.768 -3.209 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.292 -5.476 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.786 -4.581 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.243 -5.493 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.707 -6.454 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.844 -7.435 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.327 -6.613 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.088 -8.863 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.175 -7.818 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.559 -9.894 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.388 -8.454 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.565 -9.188 -5.778 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.107 -3.901 -3.571 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.119 -4.166 -2.560 1.00 0.00 C ATOM 1042 C LEU B 30 -20.056 -2.969 -2.405 1.00 0.00 C ATOM 1043 O LEU B 30 -21.268 -3.098 -2.571 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.469 -4.497 -1.212 1.00 0.00 C ATOM 1045 CG LEU B 30 -17.737 -5.838 -1.147 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.060 -6.009 0.202 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.702 -6.986 -1.400 1.00 0.00 C ATOM 0 H LEU B 30 -17.289 -3.396 -3.230 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.701 -5.027 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.763 -3.705 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.242 -4.487 -0.443 1.00 0.00 H new ATOM 0 HG LEU B 30 -16.973 -5.849 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.544 -6.969 0.231 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.340 -5.205 0.352 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.810 -5.976 0.992 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.163 -7.932 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.487 -6.975 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.149 -6.875 -2.388 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.492 -1.805 -2.096 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.285 -0.601 -1.868 1.00 0.00 C ATOM 1061 C VAL B 31 -20.946 -0.073 -3.153 1.00 0.00 C ATOM 1062 O VAL B 31 -22.034 0.503 -3.102 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.422 0.515 -1.231 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.368 1.032 -2.201 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.295 1.650 -0.727 1.00 0.00 C ATOM 0 H VAL B 31 -18.486 -1.670 -1.998 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.081 -0.885 -1.180 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.899 0.080 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.782 1.814 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.710 0.214 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.857 1.439 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.667 2.423 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.858 2.073 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.988 1.270 0.024 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.311 -0.283 -4.301 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.829 0.268 -5.536 1.00 0.00 C ATOM 1077 C GLY B 32 -21.503 -0.772 -6.405 1.00 0.00 C ATOM 1078 O GLY B 32 -21.695 -0.563 -7.605 1.00 0.00 O ATOM 0 H GLY B 32 -19.451 -0.823 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.542 1.059 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.013 0.728 -6.094 1.00 0.00 H new ATOM 1082 N GLU B 33 -21.876 -1.890 -5.810 1.00 0.00 N ATOM 1083 CA GLU B 33 -22.502 -2.962 -6.559 1.00 0.00 C ATOM 1084 C GLU B 33 -23.889 -3.250 -6.005 1.00 0.00 C ATOM 1085 O GLU B 33 -24.872 -2.733 -6.577 1.00 0.00 O ATOM 1086 CB GLU B 33 -21.632 -4.216 -6.518 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.028 -5.276 -7.532 1.00 0.00 C ATOM 1088 CD GLU B 33 -22.014 -4.747 -8.951 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -23.109 -4.524 -9.515 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -20.912 -4.538 -9.508 1.00 0.00 O ATOM 1091 OXT GLU B 33 -23.997 -3.967 -4.990 1.00 0.00 O ATOM 0 H GLU B 33 -21.757 -2.078 -4.815 1.00 0.00 H new ATOM 0 HA GLU B 33 -22.605 -2.651 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -20.594 -3.932 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -21.681 -4.648 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -21.345 -6.122 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -23.025 -5.648 -7.295 1.00 0.00 H new TER 1098 GLU B 33