USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 2 SER OG : rot 43:sc= 1.29 USER MOD Set 1.2: B 5 GLN : amide:sc= -1.77 K(o=-0.48,f=-1.4) USER MOD Set 2.1: A 2 SER OG : rot 46:sc= 1.22 USER MOD Set 2.2: A 5 GLN : amide:sc= -1.5 K(o=-0.29,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0.794 (180deg=0.777) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.175) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 0.981 (180deg=0.159) USER MOD Single : A 15 SER OG : rot 80:sc= 1.29 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0147 (180deg=-0.126) USER MOD Single : A 17 ASN : amide:sc= -1.02 K(o=-1,f=-1.9!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.281 F(o=-0.95,f=0.28) USER MOD Single : A 22 ASN : amide:sc= 1.1 K(o=1.1,f=-0.009) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.11 (180deg=-0.526) USER MOD Single : B 1 GLY N :NH3+ -176:sc= 0.768 (180deg=0.752) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.184) USER MOD Single : B 9 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0.165) USER MOD Single : B 15 SER OG : rot 81:sc= 1.27 USER MOD Single : B 16 LYS NZ :NH3+ 170:sc= -0.0118 (180deg=-0.118) USER MOD Single : B 17 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.9!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.292 F(o=-0.98,f=0.29) USER MOD Single : B 22 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0059) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= -0.136 (180deg=-0.599) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.921 2.749 -2.337 1.00 0.00 N ATOM 2 CA GLY A 1 24.808 3.685 -3.481 1.00 0.00 C ATOM 3 C GLY A 1 23.443 3.621 -4.131 1.00 0.00 C ATOM 4 O GLY A 1 22.671 2.696 -3.862 1.00 0.00 O ATOM 0 H1 GLY A 1 25.839 2.884 -1.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.155 2.935 -1.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.848 1.770 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.999 4.702 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.573 3.449 -4.220 1.00 0.00 H new ATOM 10 N SER A 2 23.145 4.610 -4.975 1.00 0.00 N ATOM 11 CA SER A 2 21.859 4.683 -5.676 1.00 0.00 C ATOM 12 C SER A 2 20.724 4.841 -4.663 1.00 0.00 C ATOM 13 O SER A 2 19.627 4.308 -4.837 1.00 0.00 O ATOM 14 CB SER A 2 21.657 3.430 -6.546 1.00 0.00 C ATOM 15 OG SER A 2 20.528 3.557 -7.398 1.00 0.00 O ATOM 0 H SER A 2 23.781 5.377 -5.192 1.00 0.00 H new ATOM 0 HA SER A 2 21.855 5.553 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.549 3.258 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.532 2.558 -5.904 1.00 0.00 H new ATOM 0 HG SER A 2 20.537 4.440 -7.823 1.00 0.00 H new ATOM 21 N MET A 3 20.998 5.599 -3.607 1.00 0.00 N ATOM 22 CA MET A 3 20.034 5.796 -2.532 1.00 0.00 C ATOM 23 C MET A 3 18.894 6.707 -2.968 1.00 0.00 C ATOM 24 O MET A 3 17.799 6.648 -2.410 1.00 0.00 O ATOM 25 CB MET A 3 20.717 6.360 -1.285 1.00 0.00 C ATOM 26 CG MET A 3 21.095 5.299 -0.261 1.00 0.00 C ATOM 27 SD MET A 3 22.262 4.078 -0.894 1.00 0.00 S ATOM 28 CE MET A 3 22.351 2.954 0.500 1.00 0.00 C ATOM 0 H MET A 3 21.883 6.088 -3.473 1.00 0.00 H new ATOM 0 HA MET A 3 19.613 4.821 -2.287 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.616 6.898 -1.586 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.053 7.086 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.528 5.786 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.192 4.789 0.073 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.036 2.139 0.267 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.711 3.491 1.378 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.360 2.548 0.704 1.00 0.00 H new ATOM 38 N LYS A 4 19.145 7.539 -3.971 1.00 0.00 N ATOM 39 CA LYS A 4 18.100 8.393 -4.523 1.00 0.00 C ATOM 40 C LYS A 4 17.042 7.535 -5.204 1.00 0.00 C ATOM 41 O LYS A 4 15.843 7.744 -5.029 1.00 0.00 O ATOM 42 CB LYS A 4 18.681 9.402 -5.517 1.00 0.00 C ATOM 43 CG LYS A 4 19.522 10.500 -4.879 1.00 0.00 C ATOM 44 CD LYS A 4 18.678 11.433 -4.026 1.00 0.00 C ATOM 45 CE LYS A 4 19.510 12.570 -3.452 1.00 0.00 C ATOM 46 NZ LYS A 4 20.599 12.071 -2.571 1.00 0.00 N ATOM 0 H LYS A 4 20.057 7.641 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 4 17.643 8.951 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.294 8.867 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.862 9.863 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.301 10.050 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.023 11.074 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.866 11.842 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.220 10.870 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.940 13.152 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.865 13.242 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.022 12.869 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.210 11.387 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.328 11.607 -3.149 1.00 0.00 H new ATOM 60 N GLN A 5 17.496 6.546 -5.960 1.00 0.00 N ATOM 61 CA GLN A 5 16.595 5.622 -6.630 1.00 0.00 C ATOM 62 C GLN A 5 15.991 4.660 -5.613 1.00 0.00 C ATOM 63 O GLN A 5 14.827 4.263 -5.719 1.00 0.00 O ATOM 64 CB GLN A 5 17.326 4.823 -7.718 1.00 0.00 C ATOM 65 CG GLN A 5 17.857 5.647 -8.889 1.00 0.00 C ATOM 66 CD GLN A 5 19.097 6.460 -8.554 1.00 0.00 C ATOM 67 OE1 GLN A 5 20.218 5.957 -8.624 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.911 7.728 -8.226 1.00 0.00 N ATOM 0 H GLN A 5 18.486 6.363 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 5 15.805 6.205 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.162 4.295 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.646 4.065 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.086 4.978 -9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.073 6.322 -9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.966 8.109 -8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.713 8.325 -8.021 1.00 0.00 H new ATOM 77 N LEU A 6 16.794 4.304 -4.617 1.00 0.00 N ATOM 78 CA LEU A 6 16.384 3.362 -3.586 1.00 0.00 C ATOM 79 C LEU A 6 15.260 3.939 -2.728 1.00 0.00 C ATOM 80 O LEU A 6 14.297 3.243 -2.409 1.00 0.00 O ATOM 81 CB LEU A 6 17.585 2.986 -2.711 1.00 0.00 C ATOM 82 CG LEU A 6 17.324 1.916 -1.651 1.00 0.00 C ATOM 83 CD1 LEU A 6 16.998 0.580 -2.304 1.00 0.00 C ATOM 84 CD2 LEU A 6 18.529 1.788 -0.731 1.00 0.00 C ATOM 0 H LEU A 6 17.743 4.659 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 6 16.005 2.464 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.390 2.640 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.943 3.886 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 6 16.462 2.217 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.816 -0.167 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.108 0.686 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.837 0.264 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.333 1.023 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 6 19.405 1.506 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.713 2.743 -0.238 1.00 0.00 H new ATOM 96 N GLU A 7 15.366 5.218 -2.372 1.00 0.00 N ATOM 97 CA GLU A 7 14.345 5.851 -1.547 1.00 0.00 C ATOM 98 C GLU A 7 13.052 6.012 -2.338 1.00 0.00 C ATOM 99 O GLU A 7 11.962 5.996 -1.770 1.00 0.00 O ATOM 100 CB GLU A 7 14.820 7.209 -1.014 1.00 0.00 C ATOM 101 CG GLU A 7 15.034 8.261 -2.089 1.00 0.00 C ATOM 102 CD GLU A 7 15.478 9.595 -1.524 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.701 9.841 -1.478 1.00 0.00 O ATOM 104 OE2 GLU A 7 14.603 10.394 -1.127 1.00 0.00 O ATOM 0 H GLU A 7 16.139 5.828 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 7 14.157 5.204 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.088 7.582 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.754 7.067 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.782 7.904 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.108 8.398 -2.647 1.00 0.00 H new ATOM 111 N ASP A 8 13.180 6.149 -3.656 1.00 0.00 N ATOM 112 CA ASP A 8 12.016 6.259 -4.530 1.00 0.00 C ATOM 113 C ASP A 8 11.248 4.947 -4.576 1.00 0.00 C ATOM 114 O ASP A 8 10.058 4.934 -4.859 1.00 0.00 O ATOM 115 CB ASP A 8 12.419 6.678 -5.945 1.00 0.00 C ATOM 116 CG ASP A 8 12.411 8.185 -6.133 1.00 0.00 C ATOM 117 OD1 ASP A 8 11.350 8.728 -6.501 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.463 8.818 -5.913 1.00 0.00 O ATOM 0 H ASP A 8 14.077 6.186 -4.141 1.00 0.00 H new ATOM 0 HA ASP A 8 11.369 7.032 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.415 6.294 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.737 6.222 -6.663 1.00 0.00 H new ATOM 123 N LYS A 9 11.935 3.846 -4.295 1.00 0.00 N ATOM 124 CA LYS A 9 11.289 2.539 -4.234 1.00 0.00 C ATOM 125 C LYS A 9 10.355 2.475 -3.032 1.00 0.00 C ATOM 126 O LYS A 9 9.149 2.265 -3.174 1.00 0.00 O ATOM 127 CB LYS A 9 12.326 1.418 -4.120 1.00 0.00 C ATOM 128 CG LYS A 9 13.292 1.319 -5.292 1.00 0.00 C ATOM 129 CD LYS A 9 12.578 0.978 -6.590 1.00 0.00 C ATOM 130 CE LYS A 9 12.419 2.199 -7.482 1.00 0.00 C ATOM 131 NZ LYS A 9 13.734 2.771 -7.869 1.00 0.00 N ATOM 0 H LYS A 9 12.937 3.831 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 9 10.721 2.403 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.901 1.566 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.803 0.467 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.821 2.265 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.043 0.558 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.138 0.209 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.596 0.560 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.863 1.925 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.832 2.956 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.619 3.363 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.103 3.352 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.402 2.000 -8.073 1.00 0.00 H new ATOM 145 N VAL A 10 10.934 2.679 -1.856 1.00 0.00 N ATOM 146 CA VAL A 10 10.209 2.575 -0.597 1.00 0.00 C ATOM 147 C VAL A 10 9.134 3.651 -0.487 1.00 0.00 C ATOM 148 O VAL A 10 7.982 3.357 -0.164 1.00 0.00 O ATOM 149 CB VAL A 10 11.174 2.687 0.603 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.429 2.544 1.921 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.277 1.646 0.494 1.00 0.00 C ATOM 0 H VAL A 10 11.919 2.921 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 10 9.728 1.597 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 10 11.628 3.678 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.134 2.627 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.679 3.331 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.939 1.571 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.949 1.738 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.837 0.649 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.837 1.804 -0.428 1.00 0.00 H new ATOM 161 N GLU A 11 9.511 4.892 -0.780 1.00 0.00 N ATOM 162 CA GLU A 11 8.595 6.020 -0.655 1.00 0.00 C ATOM 163 C GLU A 11 7.410 5.862 -1.601 1.00 0.00 C ATOM 164 O GLU A 11 6.291 6.263 -1.274 1.00 0.00 O ATOM 165 CB GLU A 11 9.326 7.334 -0.941 1.00 0.00 C ATOM 166 CG GLU A 11 8.539 8.577 -0.552 1.00 0.00 C ATOM 167 CD GLU A 11 8.300 8.675 0.943 1.00 0.00 C ATOM 168 OE1 GLU A 11 7.233 8.222 1.403 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.180 9.205 1.652 1.00 0.00 O ATOM 0 H GLU A 11 10.445 5.142 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 11 8.219 6.041 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.275 7.334 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.561 7.383 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.077 9.463 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.580 8.571 -1.070 1.00 0.00 H new ATOM 176 N GLU A 12 7.656 5.278 -2.771 1.00 0.00 N ATOM 177 CA GLU A 12 6.588 5.057 -3.743 1.00 0.00 C ATOM 178 C GLU A 12 5.519 4.121 -3.185 1.00 0.00 C ATOM 179 O GLU A 12 4.347 4.474 -3.150 1.00 0.00 O ATOM 180 CB GLU A 12 7.135 4.495 -5.054 1.00 0.00 C ATOM 181 CG GLU A 12 6.088 4.403 -6.152 1.00 0.00 C ATOM 182 CD GLU A 12 6.662 3.930 -7.470 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.308 4.744 -8.161 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.458 2.749 -7.815 1.00 0.00 O ATOM 0 H GLU A 12 8.576 4.952 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 12 6.133 6.027 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.956 5.125 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.548 3.503 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.298 3.720 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.627 5.381 -6.291 1.00 0.00 H new ATOM 191 N LEU A 13 5.920 2.930 -2.759 1.00 0.00 N ATOM 192 CA LEU A 13 4.979 1.963 -2.193 1.00 0.00 C ATOM 193 C LEU A 13 4.363 2.464 -0.896 1.00 0.00 C ATOM 194 O LEU A 13 3.195 2.188 -0.620 1.00 0.00 O ATOM 195 CB LEU A 13 5.669 0.625 -1.989 1.00 0.00 C ATOM 196 CG LEU A 13 6.178 0.026 -3.287 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.575 -0.544 -3.104 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.234 -1.050 -3.788 1.00 0.00 C ATOM 0 H LEU A 13 6.887 2.608 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 13 4.161 1.834 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.504 0.753 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.973 -0.071 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 13 6.223 0.821 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.921 -0.968 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.254 0.250 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.553 -1.323 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.618 -1.466 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.156 -1.841 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.249 -0.617 -3.963 1.00 0.00 H new ATOM 210 N LEU A 14 5.142 3.200 -0.113 1.00 0.00 N ATOM 211 CA LEU A 14 4.626 3.873 1.069 1.00 0.00 C ATOM 212 C LEU A 14 3.471 4.789 0.664 1.00 0.00 C ATOM 213 O LEU A 14 2.460 4.890 1.360 1.00 0.00 O ATOM 214 CB LEU A 14 5.774 4.648 1.746 1.00 0.00 C ATOM 215 CG LEU A 14 5.452 5.419 3.034 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.711 6.712 2.741 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.661 4.555 4.009 1.00 0.00 C ATOM 0 H LEU A 14 6.138 3.345 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 14 4.238 3.152 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.571 3.939 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.173 5.358 1.021 1.00 0.00 H new ATOM 0 HG LEU A 14 6.402 5.679 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.500 7.230 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.326 7.348 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.774 6.487 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.447 5.127 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.724 4.247 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.245 3.672 4.269 1.00 0.00 H new ATOM 229 N SER A 15 3.629 5.444 -0.474 1.00 0.00 N ATOM 230 CA SER A 15 2.570 6.257 -1.038 1.00 0.00 C ATOM 231 C SER A 15 1.452 5.372 -1.595 1.00 0.00 C ATOM 232 O SER A 15 0.272 5.696 -1.449 1.00 0.00 O ATOM 233 CB SER A 15 3.120 7.161 -2.142 1.00 0.00 C ATOM 234 OG SER A 15 4.228 7.920 -1.682 1.00 0.00 O ATOM 0 H SER A 15 4.486 5.427 -1.026 1.00 0.00 H new ATOM 0 HA SER A 15 2.160 6.881 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.421 6.554 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.335 7.833 -2.490 1.00 0.00 H new ATOM 0 HG SER A 15 5.034 7.363 -1.694 1.00 0.00 H new ATOM 240 N LYS A 16 1.818 4.252 -2.228 1.00 0.00 N ATOM 241 CA LYS A 16 0.824 3.355 -2.807 1.00 0.00 C ATOM 242 C LYS A 16 -0.147 2.833 -1.748 1.00 0.00 C ATOM 243 O LYS A 16 -1.361 2.951 -1.910 1.00 0.00 O ATOM 244 CB LYS A 16 1.501 2.189 -3.532 1.00 0.00 C ATOM 245 CG LYS A 16 2.269 2.616 -4.777 1.00 0.00 C ATOM 246 CD LYS A 16 2.957 1.439 -5.454 1.00 0.00 C ATOM 247 CE LYS A 16 1.960 0.391 -5.931 1.00 0.00 C ATOM 248 NZ LYS A 16 1.024 0.930 -6.953 1.00 0.00 N ATOM 0 H LYS A 16 2.785 3.951 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 16 0.249 3.930 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.185 1.691 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.744 1.457 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.584 3.089 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.014 3.364 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.539 1.799 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.659 0.981 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.500 -0.459 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.390 0.020 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.479 0.149 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.373 1.606 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.565 1.412 -7.699 1.00 0.00 H new ATOM 262 N ASN A 17 0.377 2.284 -0.653 1.00 0.00 N ATOM 263 CA ASN A 17 -0.486 1.743 0.394 1.00 0.00 C ATOM 264 C ASN A 17 -1.244 2.864 1.094 1.00 0.00 C ATOM 265 O ASN A 17 -2.345 2.655 1.592 1.00 0.00 O ATOM 266 CB ASN A 17 0.301 0.911 1.423 1.00 0.00 C ATOM 267 CG ASN A 17 1.176 1.741 2.348 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.346 1.975 2.069 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.618 2.180 3.470 1.00 0.00 N ATOM 0 H ASN A 17 1.377 2.203 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.199 1.076 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.403 0.335 2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.928 0.194 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.166 2.730 4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.359 1.967 3.671 1.00 0.00 H new ATOM 276 N TYR A 18 -0.653 4.053 1.118 1.00 0.00 N ATOM 277 CA TYR A 18 -1.293 5.220 1.713 1.00 0.00 C ATOM 278 C TYR A 18 -2.525 5.612 0.902 1.00 0.00 C ATOM 279 O TYR A 18 -3.594 5.883 1.459 1.00 0.00 O ATOM 280 CB TYR A 18 -0.302 6.388 1.773 1.00 0.00 C ATOM 281 CG TYR A 18 -0.842 7.636 2.439 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.835 7.767 3.821 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.342 8.689 1.684 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.315 8.909 4.432 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.826 9.833 2.288 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.808 9.939 3.661 1.00 0.00 C ATOM 287 OH TYR A 18 -2.287 11.079 4.266 1.00 0.00 O ATOM 0 H TYR A 18 0.273 4.234 0.730 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.606 4.974 2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.591 6.063 2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.007 6.638 0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.448 6.962 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.353 8.612 0.607 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.304 8.994 5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.217 10.640 1.686 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.596 11.708 3.581 1.00 0.00 H new ATOM 297 N HIS A 19 -2.369 5.624 -0.415 1.00 0.00 N ATOM 298 CA HIS A 19 -3.465 5.961 -1.315 1.00 0.00 C ATOM 299 C HIS A 19 -4.564 4.911 -1.247 1.00 0.00 C ATOM 300 O HIS A 19 -5.743 5.242 -1.134 1.00 0.00 O ATOM 301 CB HIS A 19 -2.963 6.100 -2.755 1.00 0.00 C ATOM 302 CG HIS A 19 -2.373 7.441 -3.059 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.187 7.990 -2.710 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 -3.024 8.394 -3.809 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 -1.148 9.248 -3.248 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 -2.268 9.468 -3.906 1.00 0.00 N flip ATOM 0 H HIS A 19 -1.491 5.404 -0.886 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.877 6.918 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.214 5.332 -2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.791 5.914 -3.439 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.458 7.549 -2.150 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.003 8.279 -4.250 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.331 9.947 -3.149 1.00 0.00 H new ATOM 315 N LEU A 20 -4.172 3.645 -1.294 1.00 0.00 N ATOM 316 CA LEU A 20 -5.133 2.554 -1.244 1.00 0.00 C ATOM 317 C LEU A 20 -5.818 2.490 0.118 1.00 0.00 C ATOM 318 O LEU A 20 -7.001 2.177 0.200 1.00 0.00 O ATOM 319 CB LEU A 20 -4.469 1.215 -1.579 1.00 0.00 C ATOM 320 CG LEU A 20 -4.398 0.862 -3.074 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.792 0.707 -3.655 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.629 1.912 -3.853 1.00 0.00 C ATOM 0 H LEU A 20 -3.198 3.350 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.895 2.750 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.456 1.222 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.011 0.422 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.869 -0.087 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.719 0.457 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.319 -0.090 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.340 1.642 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.597 1.633 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.124 2.878 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.613 1.981 -3.465 1.00 0.00 H new ATOM 334 N GLU A 21 -5.082 2.806 1.181 1.00 0.00 N ATOM 335 CA GLU A 21 -5.661 2.842 2.522 1.00 0.00 C ATOM 336 C GLU A 21 -6.790 3.864 2.568 1.00 0.00 C ATOM 337 O GLU A 21 -7.887 3.578 3.050 1.00 0.00 O ATOM 338 CB GLU A 21 -4.584 3.190 3.559 1.00 0.00 C ATOM 339 CG GLU A 21 -4.969 2.882 5.004 1.00 0.00 C ATOM 340 CD GLU A 21 -6.012 3.829 5.576 1.00 0.00 C ATOM 341 OE1 GLU A 21 -7.150 3.379 5.824 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.688 5.018 5.777 1.00 0.00 O ATOM 0 H GLU A 21 -4.090 3.039 1.141 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.063 1.858 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.673 2.643 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.350 4.251 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.349 1.862 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.074 2.923 5.625 1.00 0.00 H new ATOM 349 N ASN A 22 -6.512 5.053 2.056 1.00 0.00 N ATOM 350 CA ASN A 22 -7.505 6.121 2.010 1.00 0.00 C ATOM 351 C ASN A 22 -8.660 5.758 1.083 1.00 0.00 C ATOM 352 O ASN A 22 -9.776 6.258 1.236 1.00 0.00 O ATOM 353 CB ASN A 22 -6.866 7.439 1.564 1.00 0.00 C ATOM 354 CG ASN A 22 -6.163 8.157 2.701 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.765 8.975 3.397 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.887 7.864 2.896 1.00 0.00 N ATOM 0 H ASN A 22 -5.605 5.305 1.665 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.900 6.248 3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.150 7.241 0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.635 8.090 1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.367 8.322 3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.424 7.180 2.298 1.00 0.00 H new ATOM 363 N GLU A 23 -8.396 4.873 0.135 1.00 0.00 N ATOM 364 CA GLU A 23 -9.412 4.453 -0.813 1.00 0.00 C ATOM 365 C GLU A 23 -10.295 3.371 -0.195 1.00 0.00 C ATOM 366 O GLU A 23 -11.489 3.300 -0.479 1.00 0.00 O ATOM 367 CB GLU A 23 -8.760 3.965 -2.110 1.00 0.00 C ATOM 368 CG GLU A 23 -9.746 3.759 -3.248 1.00 0.00 C ATOM 369 CD GLU A 23 -9.058 3.519 -4.577 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.026 4.454 -5.401 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.543 2.403 -4.789 1.00 0.00 O ATOM 0 H GLU A 23 -7.486 4.432 0.003 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.045 5.306 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.005 4.687 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.242 3.026 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.390 2.910 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.390 4.635 -3.329 1.00 0.00 H new ATOM 378 N VAL A 24 -9.707 2.542 0.664 1.00 0.00 N ATOM 379 CA VAL A 24 -10.477 1.557 1.416 1.00 0.00 C ATOM 380 C VAL A 24 -11.449 2.265 2.349 1.00 0.00 C ATOM 381 O VAL A 24 -12.624 1.904 2.437 1.00 0.00 O ATOM 382 CB VAL A 24 -9.578 0.611 2.253 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.425 -0.314 3.115 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.675 -0.211 1.358 1.00 0.00 C ATOM 0 H VAL A 24 -8.705 2.533 0.855 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.014 0.950 0.687 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.958 1.231 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.774 -0.969 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.038 0.280 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.071 -0.916 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.055 -0.866 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.283 -0.813 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.036 0.454 0.776 1.00 0.00 H new ATOM 394 N ALA A 25 -10.953 3.296 3.021 1.00 0.00 N ATOM 395 CA ALA A 25 -11.747 4.032 3.992 1.00 0.00 C ATOM 396 C ALA A 25 -12.986 4.644 3.353 1.00 0.00 C ATOM 397 O ALA A 25 -14.072 4.602 3.930 1.00 0.00 O ATOM 398 CB ALA A 25 -10.912 5.114 4.652 1.00 0.00 C ATOM 0 H ALA A 25 -10.000 3.641 2.909 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.076 3.323 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.523 5.654 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.063 4.658 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.550 5.808 3.893 1.00 0.00 H new ATOM 404 N ARG A 26 -12.829 5.195 2.155 1.00 0.00 N ATOM 405 CA ARG A 26 -13.938 5.857 1.483 1.00 0.00 C ATOM 406 C ARG A 26 -15.061 4.865 1.222 1.00 0.00 C ATOM 407 O ARG A 26 -16.227 5.153 1.474 1.00 0.00 O ATOM 408 CB ARG A 26 -13.470 6.530 0.184 1.00 0.00 C ATOM 409 CG ARG A 26 -13.358 5.630 -1.042 1.00 0.00 C ATOM 410 CD ARG A 26 -12.925 6.428 -2.263 1.00 0.00 C ATOM 411 NE ARG A 26 -11.771 7.287 -1.986 1.00 0.00 N ATOM 412 CZ ARG A 26 -11.814 8.623 -2.012 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.950 9.253 -2.288 1.00 0.00 N ATOM 414 NH2 ARG A 26 -10.721 9.330 -1.757 1.00 0.00 N ATOM 0 H ARG A 26 -11.952 5.196 1.634 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.323 6.641 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.160 7.341 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.496 6.983 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.639 4.834 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.318 5.152 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.678 5.742 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.758 7.042 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.883 6.840 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.796 8.717 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.976 10.272 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.845 8.854 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.757 10.349 -1.778 1.00 0.00 H new ATOM 428 N LEU A 27 -14.688 3.687 0.764 1.00 0.00 N ATOM 429 CA LEU A 27 -15.658 2.632 0.495 1.00 0.00 C ATOM 430 C LEU A 27 -16.242 2.074 1.785 1.00 0.00 C ATOM 431 O LEU A 27 -17.430 1.768 1.845 1.00 0.00 O ATOM 432 CB LEU A 27 -15.018 1.514 -0.307 1.00 0.00 C ATOM 433 CG LEU A 27 -14.508 1.914 -1.680 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.455 0.939 -2.144 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.656 1.971 -2.673 1.00 0.00 C ATOM 0 H LEU A 27 -13.720 3.431 0.568 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.469 3.070 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.186 1.106 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.746 0.712 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.061 2.906 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.095 1.234 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.624 0.939 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.884 -0.061 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.275 2.259 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.128 0.991 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.390 2.704 -2.339 1.00 0.00 H new ATOM 447 N LYS A 28 -15.401 1.932 2.804 1.00 0.00 N ATOM 448 CA LYS A 28 -15.844 1.471 4.116 1.00 0.00 C ATOM 449 C LYS A 28 -17.062 2.263 4.601 1.00 0.00 C ATOM 450 O LYS A 28 -18.037 1.683 5.086 1.00 0.00 O ATOM 451 CB LYS A 28 -14.701 1.589 5.131 1.00 0.00 C ATOM 452 CG LYS A 28 -15.054 1.082 6.519 1.00 0.00 C ATOM 453 CD LYS A 28 -15.373 -0.404 6.508 1.00 0.00 C ATOM 454 CE LYS A 28 -15.792 -0.895 7.883 1.00 0.00 C ATOM 455 NZ LYS A 28 -16.108 -2.345 7.878 1.00 0.00 N ATOM 0 H LYS A 28 -14.402 2.131 2.746 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.136 0.425 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.840 1.033 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.399 2.634 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.223 1.271 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.911 1.636 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.171 -0.600 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.499 -0.962 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.993 -0.700 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.664 -0.334 8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.390 -2.642 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.888 -2.528 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.268 -2.882 7.582 1.00 0.00 H new ATOM 469 N LYS A 29 -17.014 3.582 4.448 1.00 0.00 N ATOM 470 CA LYS A 29 -18.121 4.434 4.872 1.00 0.00 C ATOM 471 C LYS A 29 -19.284 4.364 3.885 1.00 0.00 C ATOM 472 O LYS A 29 -20.431 4.575 4.262 1.00 0.00 O ATOM 473 CB LYS A 29 -17.670 5.888 5.039 1.00 0.00 C ATOM 474 CG LYS A 29 -17.303 6.274 6.470 1.00 0.00 C ATOM 475 CD LYS A 29 -16.105 5.499 7.001 1.00 0.00 C ATOM 476 CE LYS A 29 -14.793 6.003 6.414 1.00 0.00 C ATOM 477 NZ LYS A 29 -14.536 7.429 6.750 1.00 0.00 N ATOM 0 H LYS A 29 -16.226 4.083 4.036 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.461 4.061 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.808 6.064 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.467 6.545 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.086 7.341 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.160 6.099 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.072 5.583 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.225 4.441 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.972 5.390 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.813 5.885 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.520 7.631 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.073 8.040 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.835 7.614 7.729 1.00 0.00 H new ATOM 491 N LEU A 30 -18.983 4.070 2.626 1.00 0.00 N ATOM 492 CA LEU A 30 -20.017 3.945 1.600 1.00 0.00 C ATOM 493 C LEU A 30 -20.841 2.674 1.802 1.00 0.00 C ATOM 494 O LEU A 30 -22.051 2.668 1.569 1.00 0.00 O ATOM 495 CB LEU A 30 -19.394 3.959 0.200 1.00 0.00 C ATOM 496 CG LEU A 30 -19.379 5.323 -0.509 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.765 6.401 0.371 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.618 5.224 -1.822 1.00 0.00 C ATOM 0 H LEU A 30 -18.033 3.913 2.289 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.685 4.802 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.368 3.598 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.936 3.251 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.412 5.604 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.770 7.352 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.345 6.496 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.739 6.129 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.614 6.196 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.592 4.913 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.101 4.492 -2.468 1.00 0.00 H new ATOM 510 N VAL A 31 -20.186 1.604 2.237 1.00 0.00 N ATOM 511 CA VAL A 31 -20.878 0.349 2.511 1.00 0.00 C ATOM 512 C VAL A 31 -21.607 0.439 3.850 1.00 0.00 C ATOM 513 O VAL A 31 -22.623 -0.225 4.069 1.00 0.00 O ATOM 514 CB VAL A 31 -19.909 -0.860 2.533 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.672 -2.170 2.666 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.046 -0.885 1.283 1.00 0.00 C ATOM 0 H VAL A 31 -19.181 1.579 2.407 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.593 0.190 1.704 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.261 -0.747 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.968 -3.002 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.245 -2.165 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.351 -2.283 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.374 -1.743 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.683 -0.963 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.460 0.032 1.227 1.00 0.00 H new ATOM 526 N GLY A 32 -21.094 1.283 4.737 1.00 0.00 N ATOM 527 CA GLY A 32 -21.687 1.434 6.047 1.00 0.00 C ATOM 528 C GLY A 32 -22.850 2.404 6.042 1.00 0.00 C ATOM 529 O GLY A 32 -23.954 2.048 6.453 1.00 0.00 O ATOM 0 H GLY A 32 -20.275 1.867 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.029 0.462 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.929 1.782 6.749 1.00 0.00 H new ATOM 533 N GLU A 33 -22.596 3.619 5.554 1.00 0.00 N ATOM 534 CA GLU A 33 -23.592 4.688 5.531 1.00 0.00 C ATOM 535 C GLU A 33 -23.995 5.066 6.954 1.00 0.00 C ATOM 536 O GLU A 33 -23.292 5.895 7.564 1.00 0.00 O ATOM 537 CB GLU A 33 -24.820 4.282 4.703 1.00 0.00 C ATOM 538 CG GLU A 33 -25.843 5.397 4.531 1.00 0.00 C ATOM 539 CD GLU A 33 -25.292 6.595 3.780 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.743 7.506 4.435 1.00 0.00 O ATOM 541 OE2 GLU A 33 -25.412 6.624 2.538 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.998 4.531 7.467 1.00 0.00 O ATOM 0 H GLU A 33 -21.693 3.889 5.164 1.00 0.00 H new ATOM 0 HA GLU A 33 -23.146 5.561 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.489 3.951 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.303 3.430 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.710 5.008 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.190 5.719 5.513 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 24.925 -2.903 1.669 1.00 0.00 N ATOM 551 CA GLY B 1 24.815 -3.856 2.798 1.00 0.00 C ATOM 552 C GLY B 1 23.453 -3.800 3.455 1.00 0.00 C ATOM 553 O GLY B 1 22.681 -2.868 3.206 1.00 0.00 O ATOM 0 H1 GLY B 1 25.848 -3.021 1.204 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.166 -3.088 0.983 1.00 0.00 H new ATOM 0 H3 GLY B 1 24.839 -1.930 2.026 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.003 -4.868 2.438 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.584 -3.633 3.538 1.00 0.00 H new ATOM 559 N SER B 2 23.158 -4.802 4.286 1.00 0.00 N ATOM 560 CA SER B 2 21.875 -4.886 4.994 1.00 0.00 C ATOM 561 C SER B 2 20.734 -5.034 3.984 1.00 0.00 C ATOM 562 O SER B 2 19.637 -4.508 4.171 1.00 0.00 O ATOM 563 CB SER B 2 21.674 -3.644 5.882 1.00 0.00 C ATOM 564 OG SER B 2 20.555 -3.786 6.744 1.00 0.00 O ATOM 0 H SER B 2 23.795 -5.573 4.487 1.00 0.00 H new ATOM 0 HA SER B 2 21.877 -5.763 5.641 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.571 -3.474 6.477 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.538 -2.765 5.252 1.00 0.00 H new ATOM 0 HG SER B 2 20.547 -4.689 7.124 1.00 0.00 H new ATOM 570 N MET B 3 21.003 -5.776 2.916 1.00 0.00 N ATOM 571 CA MET B 3 20.034 -5.961 1.843 1.00 0.00 C ATOM 572 C MET B 3 18.896 -6.880 2.272 1.00 0.00 C ATOM 573 O MET B 3 17.801 -6.819 1.717 1.00 0.00 O ATOM 574 CB MET B 3 20.711 -6.508 0.585 1.00 0.00 C ATOM 575 CG MET B 3 21.087 -5.433 -0.427 1.00 0.00 C ATOM 576 SD MET B 3 22.259 -4.223 0.218 1.00 0.00 S ATOM 577 CE MET B 3 22.346 -3.081 -1.161 1.00 0.00 C ATOM 0 H MET B 3 21.888 -6.261 2.770 1.00 0.00 H new ATOM 0 HA MET B 3 19.611 -4.983 1.614 1.00 0.00 H new ATOM 0 HB2 MET B 3 21.610 -7.052 0.875 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.044 -7.226 0.108 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.515 -5.909 -1.309 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.183 -4.916 -0.750 1.00 0.00 H new ATOM 0 HE1 MET B 3 23.033 -2.270 -0.919 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.702 -3.607 -2.047 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.355 -2.670 -1.356 1.00 0.00 H new ATOM 587 N LYS B 4 19.152 -7.720 3.265 1.00 0.00 N ATOM 588 CA LYS B 4 18.109 -8.582 3.810 1.00 0.00 C ATOM 589 C LYS B 4 17.054 -7.734 4.506 1.00 0.00 C ATOM 590 O LYS B 4 15.855 -7.946 4.337 1.00 0.00 O ATOM 591 CB LYS B 4 18.691 -9.603 4.791 1.00 0.00 C ATOM 592 CG LYS B 4 19.532 -10.690 4.140 1.00 0.00 C ATOM 593 CD LYS B 4 18.690 -11.611 3.272 1.00 0.00 C ATOM 594 CE LYS B 4 19.528 -12.731 2.675 1.00 0.00 C ATOM 595 NZ LYS B 4 20.618 -12.214 1.806 1.00 0.00 N ATOM 0 H LYS B 4 20.065 -7.824 3.708 1.00 0.00 H new ATOM 0 HA LYS B 4 17.652 -9.129 2.986 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.303 -9.077 5.524 1.00 0.00 H new ATOM 0 HB3 LYS B 4 17.872 -10.072 5.337 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.312 -10.231 3.533 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.032 -11.275 4.912 1.00 0.00 H new ATOM 0 HD2 LYS B 4 17.882 -12.037 3.867 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.226 -11.035 2.471 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.959 -13.328 3.479 1.00 0.00 H new ATOM 0 HE3 LYS B 4 18.886 -13.393 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.032 -12.999 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 20.232 -11.506 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.354 -11.775 2.396 1.00 0.00 H new ATOM 609 N GLN B 5 17.510 -6.751 5.269 1.00 0.00 N ATOM 610 CA GLN B 5 16.610 -5.838 5.954 1.00 0.00 C ATOM 611 C GLN B 5 16.002 -4.861 4.952 1.00 0.00 C ATOM 612 O GLN B 5 14.840 -4.461 5.071 1.00 0.00 O ATOM 613 CB GLN B 5 17.343 -5.051 7.047 1.00 0.00 C ATOM 614 CG GLN B 5 17.880 -5.886 8.209 1.00 0.00 C ATOM 615 CD GLN B 5 19.116 -6.694 7.854 1.00 0.00 C ATOM 616 OE1 GLN B 5 20.238 -6.192 7.920 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.931 -7.957 7.513 1.00 0.00 N ATOM 0 H GLN B 5 18.500 -6.566 5.429 1.00 0.00 H new ATOM 0 HA GLN B 5 15.823 -6.430 6.422 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.176 -4.518 6.590 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.663 -4.298 7.447 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.115 -5.225 9.043 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.098 -6.564 8.551 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.987 -8.340 7.468 1.00 0.00 H new ATOM 0 HE22 GLN B 5 19.732 -8.549 7.294 1.00 0.00 H new ATOM 626 N LEU B 6 16.801 -4.491 3.959 1.00 0.00 N ATOM 627 CA LEU B 6 16.388 -3.538 2.938 1.00 0.00 C ATOM 628 C LEU B 6 15.263 -4.106 2.077 1.00 0.00 C ATOM 629 O LEU B 6 14.298 -3.407 1.768 1.00 0.00 O ATOM 630 CB LEU B 6 17.587 -3.152 2.064 1.00 0.00 C ATOM 631 CG LEU B 6 17.323 -2.070 1.017 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.000 -0.740 1.684 1.00 0.00 C ATOM 633 CD2 LEU B 6 18.524 -1.931 0.095 1.00 0.00 C ATOM 0 H LEU B 6 17.751 -4.842 3.839 1.00 0.00 H new ATOM 0 HA LEU B 6 16.010 -2.646 3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 6 18.393 -2.813 2.715 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.944 -4.046 1.553 1.00 0.00 H new ATOM 0 HG LEU B 6 16.459 -2.366 0.422 1.00 0.00 H new ATOM 0 HD11 LEU B 6 16.816 0.015 0.920 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.112 -0.851 2.306 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.841 -0.430 2.305 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.325 -1.158 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU B 6 19.402 -1.656 0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.707 -2.880 -0.410 1.00 0.00 H new ATOM 645 N GLU B 7 15.368 -5.379 1.705 1.00 0.00 N ATOM 646 CA GLU B 7 14.345 -6.002 0.874 1.00 0.00 C ATOM 647 C GLU B 7 13.054 -6.172 1.665 1.00 0.00 C ATOM 648 O GLU B 7 11.963 -6.146 1.100 1.00 0.00 O ATOM 649 CB GLU B 7 14.819 -7.352 0.326 1.00 0.00 C ATOM 650 CG GLU B 7 15.036 -8.414 1.390 1.00 0.00 C ATOM 651 CD GLU B 7 15.469 -9.742 0.805 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.690 -9.995 0.746 1.00 0.00 O ATOM 653 OE2 GLU B 7 14.585 -10.529 0.408 1.00 0.00 O ATOM 0 H GLU B 7 16.141 -5.992 1.963 1.00 0.00 H new ATOM 0 HA GLU B 7 14.155 -5.346 0.025 1.00 0.00 H new ATOM 0 HB2 GLU B 7 14.085 -7.718 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.751 -7.203 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.792 -8.068 2.095 1.00 0.00 H new ATOM 0 HG3 GLU B 7 14.113 -8.553 1.954 1.00 0.00 H new ATOM 660 N ASP B 8 13.185 -6.324 2.982 1.00 0.00 N ATOM 661 CA ASP B 8 12.024 -6.449 3.857 1.00 0.00 C ATOM 662 C ASP B 8 11.255 -5.138 3.927 1.00 0.00 C ATOM 663 O ASP B 8 10.067 -5.129 4.218 1.00 0.00 O ATOM 664 CB ASP B 8 12.435 -6.889 5.265 1.00 0.00 C ATOM 665 CG ASP B 8 12.426 -8.398 5.427 1.00 0.00 C ATOM 666 OD1 ASP B 8 11.373 -8.945 5.812 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.469 -9.032 5.170 1.00 0.00 O ATOM 0 H ASP B 8 14.083 -6.363 3.464 1.00 0.00 H new ATOM 0 HA ASP B 8 11.375 -7.215 3.432 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.433 -6.509 5.484 1.00 0.00 H new ATOM 0 HB3 ASP B 8 11.757 -6.444 5.994 1.00 0.00 H new ATOM 672 N LYS B 9 11.941 -4.032 3.655 1.00 0.00 N ATOM 673 CA LYS B 9 11.294 -2.726 3.613 1.00 0.00 C ATOM 674 C LYS B 9 10.359 -2.647 2.413 1.00 0.00 C ATOM 675 O LYS B 9 9.153 -2.444 2.556 1.00 0.00 O ATOM 676 CB LYS B 9 12.332 -1.601 3.510 1.00 0.00 C ATOM 677 CG LYS B 9 13.302 -1.514 4.679 1.00 0.00 C ATOM 678 CD LYS B 9 12.595 -1.187 5.985 1.00 0.00 C ATOM 679 CE LYS B 9 12.440 -2.419 6.860 1.00 0.00 C ATOM 680 NZ LYS B 9 13.756 -2.994 7.236 1.00 0.00 N ATOM 0 H LYS B 9 12.942 -4.014 3.461 1.00 0.00 H new ATOM 0 HA LYS B 9 10.728 -2.602 4.536 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.904 -1.737 2.592 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.807 -0.650 3.421 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.832 -2.461 4.781 1.00 0.00 H new ATOM 0 HG3 LYS B 9 14.051 -0.750 4.472 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.159 -0.426 6.524 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.613 -0.765 5.772 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.886 -2.158 7.762 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.853 -3.170 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.647 -3.583 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.116 -3.577 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.428 -2.225 7.432 1.00 0.00 H new ATOM 694 N VAL B 10 10.935 -2.838 1.234 1.00 0.00 N ATOM 695 CA VAL B 10 10.204 -2.720 -0.020 1.00 0.00 C ATOM 696 C VAL B 10 9.131 -3.796 -0.140 1.00 0.00 C ATOM 697 O VAL B 10 7.979 -3.501 -0.459 1.00 0.00 O ATOM 698 CB VAL B 10 11.165 -2.815 -1.225 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.415 -2.657 -2.539 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.266 -1.775 -1.107 1.00 0.00 C ATOM 0 H VAL B 10 11.920 -3.079 1.120 1.00 0.00 H new ATOM 0 HA VAL B 10 9.720 -1.743 -0.022 1.00 0.00 H new ATOM 0 HB VAL B 10 11.620 -3.805 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.117 -2.728 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.667 -3.445 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL B 10 9.923 -1.685 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.935 -1.855 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.824 -0.779 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL B 10 12.830 -1.944 -0.189 1.00 0.00 H new ATOM 710 N GLU B 11 9.509 -5.039 0.137 1.00 0.00 N ATOM 711 CA GLU B 11 8.594 -6.165 0.004 1.00 0.00 C ATOM 712 C GLU B 11 7.410 -6.018 0.957 1.00 0.00 C ATOM 713 O GLU B 11 6.289 -6.408 0.624 1.00 0.00 O ATOM 714 CB GLU B 11 9.327 -7.482 0.276 1.00 0.00 C ATOM 715 CG GLU B 11 8.541 -8.720 -0.122 1.00 0.00 C ATOM 716 CD GLU B 11 8.296 -8.801 -1.618 1.00 0.00 C ATOM 717 OE1 GLU B 11 7.234 -8.331 -2.071 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.169 -9.334 -2.335 1.00 0.00 O ATOM 0 H GLU B 11 10.444 -5.292 0.455 1.00 0.00 H new ATOM 0 HA GLU B 11 8.215 -6.176 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.274 -7.477 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.565 -7.541 1.338 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.082 -9.609 0.202 1.00 0.00 H new ATOM 0 HG3 GLU B 11 7.584 -8.721 0.400 1.00 0.00 H new ATOM 725 N GLU B 12 7.659 -5.452 2.135 1.00 0.00 N ATOM 726 CA GLU B 12 6.594 -5.244 3.113 1.00 0.00 C ATOM 727 C GLU B 12 5.522 -4.303 2.568 1.00 0.00 C ATOM 728 O GLU B 12 4.350 -4.655 2.535 1.00 0.00 O ATOM 729 CB GLU B 12 7.147 -4.692 4.426 1.00 0.00 C ATOM 730 CG GLU B 12 6.105 -4.612 5.529 1.00 0.00 C ATOM 731 CD GLU B 12 6.685 -4.153 6.849 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.321 -4.980 7.533 1.00 0.00 O ATOM 733 OE2 GLU B 12 6.496 -2.970 7.202 1.00 0.00 O ATOM 0 H GLU B 12 8.580 -5.132 2.434 1.00 0.00 H new ATOM 0 HA GLU B 12 6.141 -6.216 3.307 1.00 0.00 H new ATOM 0 HB2 GLU B 12 7.971 -5.323 4.759 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.557 -3.698 4.250 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.314 -3.926 5.226 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.645 -5.591 5.660 1.00 0.00 H new ATOM 740 N LEU B 13 5.923 -3.104 2.157 1.00 0.00 N ATOM 741 CA LEU B 13 4.980 -2.131 1.606 1.00 0.00 C ATOM 742 C LEU B 13 4.360 -2.613 0.305 1.00 0.00 C ATOM 743 O LEU B 13 3.191 -2.332 0.036 1.00 0.00 O ATOM 744 CB LEU B 13 5.669 -0.789 1.416 1.00 0.00 C ATOM 745 CG LEU B 13 6.184 -0.205 2.720 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.579 0.367 2.538 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.239 0.865 3.237 1.00 0.00 C ATOM 0 H LEU B 13 6.890 -2.782 2.194 1.00 0.00 H new ATOM 0 HA LEU B 13 4.165 -2.013 2.320 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.501 -0.907 0.722 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.970 -0.088 0.959 1.00 0.00 H new ATOM 0 HG LEU B 13 6.233 -1.008 3.455 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.929 0.780 3.484 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.257 -0.423 2.214 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.554 1.155 1.785 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.626 1.271 4.172 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.157 1.664 2.501 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.255 0.429 3.410 1.00 0.00 H new ATOM 759 N LEU B 14 5.135 -3.342 -0.490 1.00 0.00 N ATOM 760 CA LEU B 14 4.614 -4.003 -1.677 1.00 0.00 C ATOM 761 C LEU B 14 3.461 -4.920 -1.278 1.00 0.00 C ATOM 762 O LEU B 14 2.446 -5.010 -1.969 1.00 0.00 O ATOM 763 CB LEU B 14 5.761 -4.771 -2.369 1.00 0.00 C ATOM 764 CG LEU B 14 5.432 -5.528 -3.666 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.693 -6.828 -3.386 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.637 -4.652 -4.623 1.00 0.00 C ATOM 0 H LEU B 14 6.132 -3.490 -0.331 1.00 0.00 H new ATOM 0 HA LEU B 14 4.223 -3.275 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.557 -4.059 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.163 -5.489 -1.654 1.00 0.00 H new ATOM 0 HG LEU B 14 6.379 -5.783 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.478 -7.334 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.312 -7.471 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.758 -6.611 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.418 -5.212 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.703 -4.350 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.220 -3.766 -4.874 1.00 0.00 H new ATOM 778 N SER B 15 3.623 -5.590 -0.150 1.00 0.00 N ATOM 779 CA SER B 15 2.564 -6.409 0.408 1.00 0.00 C ATOM 780 C SER B 15 1.451 -5.532 0.984 1.00 0.00 C ATOM 781 O SER B 15 0.270 -5.856 0.847 1.00 0.00 O ATOM 782 CB SER B 15 3.123 -7.329 1.490 1.00 0.00 C ATOM 783 OG SER B 15 4.223 -8.080 1.003 1.00 0.00 O ATOM 0 H SER B 15 4.483 -5.582 0.399 1.00 0.00 H new ATOM 0 HA SER B 15 2.143 -7.019 -0.391 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.435 -6.736 2.350 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.341 -8.005 1.836 1.00 0.00 H new ATOM 0 HG SER B 15 5.032 -7.527 1.023 1.00 0.00 H new ATOM 789 N LYS B 16 1.820 -4.418 1.624 1.00 0.00 N ATOM 790 CA LYS B 16 0.830 -3.527 2.217 1.00 0.00 C ATOM 791 C LYS B 16 -0.145 -2.994 1.170 1.00 0.00 C ATOM 792 O LYS B 16 -1.359 -3.108 1.341 1.00 0.00 O ATOM 793 CB LYS B 16 1.507 -2.370 2.953 1.00 0.00 C ATOM 794 CG LYS B 16 2.280 -2.811 4.189 1.00 0.00 C ATOM 795 CD LYS B 16 2.968 -1.643 4.879 1.00 0.00 C ATOM 796 CE LYS B 16 1.972 -0.605 5.378 1.00 0.00 C ATOM 797 NZ LYS B 16 1.045 -1.160 6.402 1.00 0.00 N ATOM 0 H LYS B 16 2.788 -4.118 1.742 1.00 0.00 H new ATOM 0 HA LYS B 16 0.259 -4.111 2.939 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.188 -1.863 2.269 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.750 -1.643 3.247 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.599 -3.295 4.889 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.025 -3.554 3.904 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.556 -2.014 5.719 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.665 -1.172 4.185 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.513 0.241 5.801 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.394 -0.224 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.501 -0.386 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.392 -1.832 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.593 -1.650 7.137 1.00 0.00 H new ATOM 811 N ASN B 17 0.373 -2.435 0.078 1.00 0.00 N ATOM 812 CA ASN B 17 -0.494 -1.883 -0.959 1.00 0.00 C ATOM 813 C ASN B 17 -1.254 -2.997 -1.668 1.00 0.00 C ATOM 814 O ASN B 17 -2.359 -2.784 -2.156 1.00 0.00 O ATOM 815 CB ASN B 17 0.288 -1.038 -1.980 1.00 0.00 C ATOM 816 CG ASN B 17 1.161 -1.856 -2.918 1.00 0.00 C ATOM 817 OD1 ASN B 17 2.331 -2.093 -2.645 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.601 -2.278 -4.042 1.00 0.00 N ATOM 0 H ASN B 17 1.372 -2.353 -0.110 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.206 -1.222 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.418 -0.456 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.916 -0.327 -1.443 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.147 -2.819 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.377 -2.062 -4.237 1.00 0.00 H new ATOM 825 N TYR B 18 -0.662 -4.184 -1.711 1.00 0.00 N ATOM 826 CA TYR B 18 -1.304 -5.345 -2.317 1.00 0.00 C ATOM 827 C TYR B 18 -2.533 -5.746 -1.504 1.00 0.00 C ATOM 828 O TYR B 18 -3.607 -6.007 -2.056 1.00 0.00 O ATOM 829 CB TYR B 18 -0.312 -6.511 -2.394 1.00 0.00 C ATOM 830 CG TYR B 18 -0.853 -7.753 -3.070 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.853 -7.868 -4.454 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.357 -8.813 -2.325 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.337 -9.002 -5.077 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.844 -9.950 -2.941 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.832 -10.039 -4.317 1.00 0.00 C ATOM 836 OH TYR B 18 -2.319 -11.170 -4.933 1.00 0.00 O ATOM 0 H TYR B 18 0.267 -4.369 -1.331 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.622 -5.089 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.578 -6.180 -2.930 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.003 -6.771 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.468 -7.057 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.368 -8.747 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.327 -9.075 -6.154 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.232 -10.765 -2.348 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.629 -11.805 -4.254 1.00 0.00 H new ATOM 846 N HIS B 19 -2.370 -5.773 -0.188 1.00 0.00 N ATOM 847 CA HIS B 19 -3.460 -6.119 0.713 1.00 0.00 C ATOM 848 C HIS B 19 -4.561 -5.070 0.664 1.00 0.00 C ATOM 849 O HIS B 19 -5.743 -5.402 0.570 1.00 0.00 O ATOM 850 CB HIS B 19 -2.954 -6.278 2.149 1.00 0.00 C ATOM 851 CG HIS B 19 -2.367 -7.625 2.430 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.181 -8.166 2.073 1.00 0.00 N flip ATOM 853 CD2 HIS B 19 -3.017 -8.589 3.169 1.00 0.00 C flip ATOM 854 CE1 HIS B 19 -1.136 -9.430 2.596 1.00 0.00 C flip ATOM 855 NE2 HIS B 19 -2.255 -9.662 3.253 1.00 0.00 N flip ATOM 0 H HIS B 19 -1.490 -5.558 0.280 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.872 -7.072 0.381 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.202 -5.514 2.347 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.779 -6.099 2.838 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.454 -7.716 1.517 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.997 -8.483 3.610 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.316 -10.125 2.488 1.00 0.00 H new ATOM 864 N LEU B 20 -4.170 -3.804 0.717 1.00 0.00 N ATOM 865 CA LEU B 20 -5.135 -2.714 0.684 1.00 0.00 C ATOM 866 C LEU B 20 -5.827 -2.635 -0.674 1.00 0.00 C ATOM 867 O LEU B 20 -7.012 -2.325 -0.745 1.00 0.00 O ATOM 868 CB LEU B 20 -4.471 -1.376 1.034 1.00 0.00 C ATOM 869 CG LEU B 20 -4.395 -1.043 2.531 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.785 -0.890 3.120 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.630 -2.107 3.294 1.00 0.00 C ATOM 0 H LEU B 20 -3.196 -3.507 0.783 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.894 -2.921 1.439 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.459 -1.376 0.629 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.016 -0.578 0.530 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.862 -0.097 2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.707 -0.654 4.181 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.311 -0.084 2.607 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.338 -1.821 2.995 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.594 -1.842 4.351 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.130 -3.068 3.178 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.615 -2.176 2.903 1.00 0.00 H new ATOM 883 N GLU B 21 -5.097 -2.939 -1.743 1.00 0.00 N ATOM 884 CA GLU B 21 -5.679 -2.957 -3.084 1.00 0.00 C ATOM 885 C GLU B 21 -6.807 -3.981 -3.141 1.00 0.00 C ATOM 886 O GLU B 21 -7.906 -3.692 -3.615 1.00 0.00 O ATOM 887 CB GLU B 21 -4.603 -3.288 -4.128 1.00 0.00 C ATOM 888 CG GLU B 21 -4.988 -2.961 -5.569 1.00 0.00 C ATOM 889 CD GLU B 21 -6.031 -3.897 -6.152 1.00 0.00 C ATOM 890 OE1 GLU B 21 -7.168 -3.442 -6.397 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.714 -5.087 -6.356 1.00 0.00 O ATOM 0 H GLU B 21 -4.105 -3.176 -1.709 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.084 -1.970 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.693 -2.743 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.367 -4.350 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.366 -1.939 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.094 -2.996 -6.191 1.00 0.00 H new ATOM 898 N ASN B 22 -6.526 -5.174 -2.641 1.00 0.00 N ATOM 899 CA ASN B 22 -7.517 -6.246 -2.604 1.00 0.00 C ATOM 900 C ASN B 22 -8.670 -5.897 -1.666 1.00 0.00 C ATOM 901 O ASN B 22 -9.786 -6.402 -1.817 1.00 0.00 O ATOM 902 CB ASN B 22 -6.872 -7.568 -2.178 1.00 0.00 C ATOM 903 CG ASN B 22 -6.175 -8.270 -3.330 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.781 -9.076 -4.040 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.899 -7.973 -3.529 1.00 0.00 N ATOM 0 H ASN B 22 -5.617 -5.428 -2.253 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.917 -6.361 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.151 -7.378 -1.383 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.637 -8.226 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.385 -8.416 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.431 -7.301 -2.921 1.00 0.00 H new ATOM 912 N GLU B 23 -8.404 -5.020 -0.710 1.00 0.00 N ATOM 913 CA GLU B 23 -9.415 -4.611 0.248 1.00 0.00 C ATOM 914 C GLU B 23 -10.300 -3.523 -0.354 1.00 0.00 C ATOM 915 O GLU B 23 -11.492 -3.454 -0.063 1.00 0.00 O ATOM 916 CB GLU B 23 -8.757 -4.136 1.548 1.00 0.00 C ATOM 917 CG GLU B 23 -9.738 -3.944 2.693 1.00 0.00 C ATOM 918 CD GLU B 23 -9.046 -3.715 4.024 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.021 -4.655 4.847 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.521 -2.605 4.239 1.00 0.00 O ATOM 0 H GLU B 23 -7.494 -4.578 -0.578 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.046 -5.467 0.486 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.000 -4.860 1.847 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.241 -3.194 1.361 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.385 -3.095 2.473 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -10.379 -4.822 2.768 1.00 0.00 H new ATOM 927 N VAL B 24 -9.715 -2.686 -1.205 1.00 0.00 N ATOM 928 CA VAL B 24 -10.488 -1.693 -1.942 1.00 0.00 C ATOM 929 C VAL B 24 -11.465 -2.392 -2.879 1.00 0.00 C ATOM 930 O VAL B 24 -12.642 -2.037 -2.951 1.00 0.00 O ATOM 931 CB VAL B 24 -9.595 -0.737 -2.773 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.445 0.195 -3.620 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.687 0.075 -1.872 1.00 0.00 C ATOM 0 H VAL B 24 -8.714 -2.675 -1.401 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.020 -1.094 -1.203 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.979 -1.349 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.797 0.857 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.060 -0.392 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.089 0.790 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.070 0.738 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.291 0.668 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.045 -0.597 -1.302 1.00 0.00 H new ATOM 943 N ALA B 25 -10.969 -3.410 -3.568 1.00 0.00 N ATOM 944 CA ALA B 25 -11.768 -4.133 -4.548 1.00 0.00 C ATOM 945 C ALA B 25 -13.006 -4.752 -3.911 1.00 0.00 C ATOM 946 O ALA B 25 -14.095 -4.703 -4.484 1.00 0.00 O ATOM 947 CB ALA B 25 -10.931 -5.204 -5.229 1.00 0.00 C ATOM 0 H ALA B 25 -10.014 -3.755 -3.466 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.102 -3.416 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.543 -5.735 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.086 -4.738 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.564 -5.908 -4.482 1.00 0.00 H new ATOM 953 N ARG B 26 -12.844 -5.317 -2.718 1.00 0.00 N ATOM 954 CA ARG B 26 -13.951 -5.989 -2.051 1.00 0.00 C ATOM 955 C ARG B 26 -15.073 -5.000 -1.775 1.00 0.00 C ATOM 956 O ARG B 26 -16.239 -5.279 -2.032 1.00 0.00 O ATOM 957 CB ARG B 26 -13.477 -6.679 -0.761 1.00 0.00 C ATOM 958 CG ARG B 26 -13.360 -5.793 0.478 1.00 0.00 C ATOM 959 CD ARG B 26 -12.921 -6.602 1.690 1.00 0.00 C ATOM 960 NE ARG B 26 -11.769 -7.463 1.402 1.00 0.00 N ATOM 961 CZ ARG B 26 -11.819 -8.800 1.405 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.957 -9.428 1.675 1.00 0.00 N ATOM 963 NH2 ARG B 26 -10.726 -9.506 1.138 1.00 0.00 N ATOM 0 H ARG B 26 -11.966 -5.323 -2.199 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.338 -6.766 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.166 -7.493 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.503 -7.130 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.643 -4.994 0.291 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.320 -5.319 0.682 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.669 -5.923 2.504 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.753 -7.216 2.034 1.00 0.00 H new ATOM 0 HE ARG B 26 -10.878 -7.016 1.187 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -13.799 -8.891 1.882 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -12.989 -10.447 1.676 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -9.849 -9.029 0.931 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -10.764 -10.525 1.140 1.00 0.00 H new ATOM 977 N LEU B 27 -14.699 -3.828 -1.301 1.00 0.00 N ATOM 978 CA LEU B 27 -15.667 -2.778 -1.014 1.00 0.00 C ATOM 979 C LEU B 27 -16.256 -2.204 -2.295 1.00 0.00 C ATOM 980 O LEU B 27 -17.443 -1.896 -2.349 1.00 0.00 O ATOM 981 CB LEU B 27 -15.024 -1.669 -0.203 1.00 0.00 C ATOM 982 CG LEU B 27 -14.508 -2.083 1.164 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.453 -1.111 1.635 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.652 -2.151 2.163 1.00 0.00 C ATOM 0 H LEU B 27 -13.731 -3.575 -1.105 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.475 -3.224 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.195 -1.255 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.752 -0.868 -0.072 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.061 -3.074 1.086 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.089 -1.416 2.616 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.624 -1.102 0.927 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.883 -0.112 1.702 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.266 -2.449 3.138 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.124 -1.172 2.243 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.387 -2.881 1.825 1.00 0.00 H new ATOM 996 N LYS B 28 -15.419 -2.052 -3.317 1.00 0.00 N ATOM 997 CA LYS B 28 -15.867 -1.576 -4.623 1.00 0.00 C ATOM 998 C LYS B 28 -17.086 -2.362 -5.114 1.00 0.00 C ATOM 999 O LYS B 28 -18.058 -1.777 -5.600 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.728 -1.680 -5.643 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.090 -1.159 -7.027 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.408 0.328 -6.998 1.00 0.00 C ATOM 1003 CE LYS B 28 -15.837 0.833 -8.365 1.00 0.00 C ATOM 1004 NZ LYS B 28 -16.145 2.287 -8.345 1.00 0.00 N ATOM 0 H LYS B 28 -14.420 -2.253 -3.265 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.159 -0.531 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.868 -1.125 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.422 -2.723 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.263 -1.342 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.950 -1.708 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.200 0.517 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.531 0.882 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.045 0.639 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.715 0.280 -8.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.434 2.594 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.918 2.469 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.299 2.817 -8.052 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.042 -3.682 -4.970 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.151 -4.525 -5.400 1.00 0.00 C ATOM 1020 C LYS B 29 -19.306 -4.472 -4.403 1.00 0.00 C ATOM 1021 O LYS B 29 -20.459 -4.684 -4.772 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.706 -5.983 -5.597 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.330 -6.361 -7.033 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.139 -5.572 -7.557 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.827 -6.077 -6.976 1.00 0.00 C ATOM 1026 NZ LYS B 29 -14.570 -7.502 -7.319 1.00 0.00 N ATOM 0 H LYS B 29 -16.256 -4.188 -4.562 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.494 -4.133 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.849 -6.175 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.510 -6.640 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.102 -7.426 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.187 -6.192 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.106 -5.643 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.264 -4.518 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.007 -5.462 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.845 -5.964 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.552 -7.699 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.092 -8.117 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.887 -7.687 -8.292 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.999 -4.193 -3.144 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.027 -4.076 -2.112 1.00 0.00 C ATOM 1042 C LEU B 30 -20.849 -2.804 -2.299 1.00 0.00 C ATOM 1043 O LEU B 30 -22.058 -2.802 -2.072 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.399 -4.106 -0.716 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.378 -5.477 -0.028 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.766 -6.542 -0.924 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.615 -5.394 1.285 1.00 0.00 C ATOM 0 H LEU B 30 -18.047 -4.043 -2.810 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.697 -4.931 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.375 -3.741 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.941 -3.408 -0.078 1.00 0.00 H new ATOM 0 HG LEU B 30 -20.410 -5.764 0.174 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.768 -7.500 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.350 -6.626 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.741 -6.265 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.607 -6.373 1.764 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -17.590 -5.077 1.091 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.100 -4.673 1.943 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.196 -1.730 -2.724 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.891 -0.475 -2.984 1.00 0.00 C ATOM 1061 C VAL B 31 -21.630 -0.555 -4.317 1.00 0.00 C ATOM 1062 O VAL B 31 -22.662 0.090 -4.512 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.924 0.736 -2.999 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.692 2.044 -3.117 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.059 0.748 -1.750 1.00 0.00 C ATOM 0 H VAL B 31 -19.191 -1.702 -2.895 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.602 -0.323 -2.172 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.277 0.636 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.991 2.878 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.268 2.045 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.368 2.147 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.388 1.606 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.695 0.816 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.473 -0.170 -1.704 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.113 -1.379 -5.221 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.712 -1.511 -6.533 1.00 0.00 C ATOM 1077 C GLY B 32 -22.875 -2.481 -6.540 1.00 0.00 C ATOM 1078 O GLY B 32 -23.980 -2.120 -6.946 1.00 0.00 O ATOM 0 H GLY B 32 -20.288 -1.959 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.055 -0.534 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.956 -1.848 -7.242 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.621 -3.702 -6.064 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.617 -4.771 -6.053 1.00 0.00 C ATOM 1084 C GLU B 33 -24.023 -5.134 -7.481 1.00 0.00 C ATOM 1085 O GLU B 33 -23.320 -5.962 -8.095 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.842 -4.380 -5.214 1.00 0.00 C ATOM 1087 CG GLU B 33 -25.860 -5.502 -5.048 1.00 0.00 C ATOM 1088 CD GLU B 33 -25.302 -6.705 -4.308 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.751 -7.609 -4.973 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -25.420 -6.746 -3.065 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.028 -4.591 -7.986 1.00 0.00 O ATOM 0 H GLU B 33 -21.718 -3.976 -5.676 1.00 0.00 H new ATOM 0 HA GLU B 33 -23.169 -5.650 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.507 -4.058 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.331 -3.525 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -26.727 -5.121 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -26.209 -5.817 -6.031 1.00 0.00 H new TER 1098 GLU B 33