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 Set 1.1: B 15 SER OG : rot 180:sc= -0.0125 USER MOD Set 1.2: B 19 HIS : no HE2:sc= 0.13 K(o=0.12,f=-0.77) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= -0.0105 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 0.135 K(o=0.12,f=-0.77) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -119:sc= -0.112 (180deg=-0.728) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.0351 (180deg=-0.215) USER MOD Single : A 5 GLN : amide:sc= -4.22! K(o=-4.2!,f=-0.64) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= -1.35 (180deg=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0876) USER MOD Single : A 17 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.4!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0038 K(o=-0.0038,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc=-0.00148 (180deg=-0.0617) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -128:sc= 0.108 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -120:sc= -0.0981 (180deg=-0.708) USER MOD Single : B 4 LYS NZ :NH3+ -167:sc= -0.035 (180deg=-0.218) USER MOD Single : B 5 GLN : amide:sc= -4.16! K(o=-4.2!,f=-0.66) USER MOD Single : B 9 LYS NZ :NH3+ 179:sc= -1.5 (180deg=-1.51) USER MOD Single : B 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.083) USER MOD Single : B 17 ASN : amide:sc= -5.38! C(o=-5.4!,f=-5.4!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc=-0.00606 K(o=-0.0061,f=-2!) USER MOD Single : B 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0487) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.372 2.432 -0.722 1.00 0.00 N ATOM 2 CA GLY A 1 25.642 3.637 -1.173 1.00 0.00 C ATOM 3 C GLY A 1 24.383 3.283 -1.930 1.00 0.00 C ATOM 4 O GLY A 1 23.938 2.136 -1.884 1.00 0.00 O ATOM 0 H1 GLY A 1 26.566 2.505 0.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.794 1.587 -0.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.270 2.356 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.386 4.251 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.291 4.238 -1.810 1.00 0.00 H new ATOM 10 N SER A 2 23.802 4.279 -2.602 1.00 0.00 N ATOM 11 CA SER A 2 22.590 4.091 -3.414 1.00 0.00 C ATOM 12 C SER A 2 21.363 3.905 -2.523 1.00 0.00 C ATOM 13 O SER A 2 20.281 3.551 -2.994 1.00 0.00 O ATOM 14 CB SER A 2 22.750 2.898 -4.363 1.00 0.00 C ATOM 15 OG SER A 2 23.893 3.052 -5.193 1.00 0.00 O ATOM 0 H SER A 2 24.154 5.236 -2.601 1.00 0.00 H new ATOM 0 HA SER A 2 22.444 4.989 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.839 1.979 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.858 2.800 -4.982 1.00 0.00 H new ATOM 0 HG SER A 2 23.973 2.277 -5.787 1.00 0.00 H new ATOM 21 N MET A 3 21.534 4.197 -1.241 1.00 0.00 N ATOM 22 CA MET A 3 20.478 4.020 -0.253 1.00 0.00 C ATOM 23 C MET A 3 19.325 4.979 -0.502 1.00 0.00 C ATOM 24 O MET A 3 18.175 4.659 -0.208 1.00 0.00 O ATOM 25 CB MET A 3 21.032 4.229 1.157 1.00 0.00 C ATOM 26 CG MET A 3 21.865 3.065 1.663 1.00 0.00 C ATOM 27 SD MET A 3 20.895 1.559 1.851 1.00 0.00 S ATOM 28 CE MET A 3 22.153 0.412 2.402 1.00 0.00 C ATOM 0 H MET A 3 22.406 4.562 -0.857 1.00 0.00 H new ATOM 0 HA MET A 3 20.101 3.001 -0.345 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.641 5.133 1.168 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.202 4.396 1.843 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.686 2.881 0.970 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.310 3.330 2.622 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.242 -0.403 1.683 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.108 0.931 2.483 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.876 0.008 3.376 1.00 0.00 H new ATOM 38 N LYS A 4 19.635 6.149 -1.048 1.00 0.00 N ATOM 39 CA LYS A 4 18.618 7.154 -1.339 1.00 0.00 C ATOM 40 C LYS A 4 17.528 6.580 -2.238 1.00 0.00 C ATOM 41 O LYS A 4 16.341 6.664 -1.921 1.00 0.00 O ATOM 42 CB LYS A 4 19.247 8.378 -2.010 1.00 0.00 C ATOM 43 CG LYS A 4 18.249 9.487 -2.317 1.00 0.00 C ATOM 44 CD LYS A 4 18.904 10.666 -3.023 1.00 0.00 C ATOM 45 CE LYS A 4 19.958 11.337 -2.154 1.00 0.00 C ATOM 46 NZ LYS A 4 19.385 11.867 -0.890 1.00 0.00 N ATOM 0 H LYS A 4 20.584 6.426 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 4 18.169 7.457 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.030 8.774 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.727 8.066 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.448 9.091 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.791 9.829 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.363 10.324 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.141 11.395 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.746 10.620 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.422 12.151 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.074 12.500 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.514 12.396 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.166 11.077 -0.250 1.00 0.00 H new ATOM 60 N GLN A 5 17.940 5.975 -3.342 1.00 0.00 N ATOM 61 CA GLN A 5 17.001 5.448 -4.326 1.00 0.00 C ATOM 62 C GLN A 5 16.208 4.276 -3.759 1.00 0.00 C ATOM 63 O GLN A 5 15.037 4.095 -4.086 1.00 0.00 O ATOM 64 CB GLN A 5 17.732 5.016 -5.603 1.00 0.00 C ATOM 65 CG GLN A 5 18.339 6.171 -6.394 1.00 0.00 C ATOM 66 CD GLN A 5 19.551 6.795 -5.724 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.787 7.997 -5.838 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.345 5.980 -5.044 1.00 0.00 N ATOM 0 H GLN A 5 18.922 5.836 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 5 16.304 6.248 -4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.524 4.316 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.034 4.478 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.625 5.813 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.580 6.939 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.117 4.989 -4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.184 6.344 -4.593 1.00 0.00 H new ATOM 77 N LEU A 6 16.844 3.483 -2.908 1.00 0.00 N ATOM 78 CA LEU A 6 16.172 2.350 -2.280 1.00 0.00 C ATOM 79 C LEU A 6 15.130 2.827 -1.274 1.00 0.00 C ATOM 80 O LEU A 6 14.010 2.317 -1.240 1.00 0.00 O ATOM 81 CB LEU A 6 17.183 1.418 -1.601 1.00 0.00 C ATOM 82 CG LEU A 6 17.788 0.325 -2.495 1.00 0.00 C ATOM 83 CD1 LEU A 6 16.707 -0.628 -2.986 1.00 0.00 C ATOM 84 CD2 LEU A 6 18.536 0.933 -3.673 1.00 0.00 C ATOM 0 H LEU A 6 17.820 3.601 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 6 15.663 1.789 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.995 2.024 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.694 0.938 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 6 18.502 -0.240 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.157 -1.394 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.223 -1.100 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.966 -0.073 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.954 0.137 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.848 1.531 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 6 19.342 1.567 -3.304 1.00 0.00 H new ATOM 96 N GLU A 7 15.493 3.822 -0.473 1.00 0.00 N ATOM 97 CA GLU A 7 14.572 4.385 0.508 1.00 0.00 C ATOM 98 C GLU A 7 13.422 5.109 -0.185 1.00 0.00 C ATOM 99 O GLU A 7 12.272 5.020 0.244 1.00 0.00 O ATOM 100 CB GLU A 7 15.310 5.336 1.450 1.00 0.00 C ATOM 101 CG GLU A 7 16.337 4.636 2.325 1.00 0.00 C ATOM 102 CD GLU A 7 17.097 5.594 3.216 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.602 5.893 4.322 1.00 0.00 O ATOM 104 OE2 GLU A 7 18.187 6.047 2.805 1.00 0.00 O ATOM 0 H GLU A 7 16.416 4.255 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 7 14.157 3.566 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.809 6.106 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.584 5.842 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.834 3.892 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.043 4.099 1.691 1.00 0.00 H new ATOM 111 N ASP A 8 13.737 5.815 -1.267 1.00 0.00 N ATOM 112 CA ASP A 8 12.718 6.505 -2.052 1.00 0.00 C ATOM 113 C ASP A 8 11.790 5.507 -2.732 1.00 0.00 C ATOM 114 O ASP A 8 10.640 5.819 -3.029 1.00 0.00 O ATOM 115 CB ASP A 8 13.352 7.419 -3.103 1.00 0.00 C ATOM 116 CG ASP A 8 13.724 8.780 -2.546 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.921 9.007 -2.272 1.00 0.00 O ATOM 118 OD2 ASP A 8 12.817 9.619 -2.387 1.00 0.00 O ATOM 0 H ASP A 8 14.688 5.924 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 8 12.137 7.118 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.244 6.939 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.658 7.548 -3.933 1.00 0.00 H new ATOM 123 N LYS A 9 12.297 4.309 -2.981 1.00 0.00 N ATOM 124 CA LYS A 9 11.494 3.247 -3.570 1.00 0.00 C ATOM 125 C LYS A 9 10.466 2.756 -2.555 1.00 0.00 C ATOM 126 O LYS A 9 9.322 2.459 -2.903 1.00 0.00 O ATOM 127 CB LYS A 9 12.398 2.100 -4.030 1.00 0.00 C ATOM 128 CG LYS A 9 11.723 1.106 -4.960 1.00 0.00 C ATOM 129 CD LYS A 9 12.726 0.095 -5.494 1.00 0.00 C ATOM 130 CE LYS A 9 12.126 -0.789 -6.576 1.00 0.00 C ATOM 131 NZ LYS A 9 11.012 -1.627 -6.067 1.00 0.00 N ATOM 0 H LYS A 9 13.263 4.047 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 9 10.964 3.633 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.268 2.519 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.765 1.568 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.926 0.587 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.258 1.637 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.592 0.621 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.083 -0.528 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.764 -0.164 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.903 -1.433 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.603 -2.174 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.372 -2.279 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.280 -1.016 -5.652 1.00 0.00 H new ATOM 145 N VAL A 10 10.882 2.696 -1.294 1.00 0.00 N ATOM 146 CA VAL A 10 9.983 2.347 -0.201 1.00 0.00 C ATOM 147 C VAL A 10 8.940 3.445 -0.011 1.00 0.00 C ATOM 148 O VAL A 10 7.753 3.168 0.147 1.00 0.00 O ATOM 149 CB VAL A 10 10.747 2.145 1.126 1.00 0.00 C ATOM 150 CG1 VAL A 10 9.801 1.705 2.231 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.873 1.137 0.956 1.00 0.00 C ATOM 0 H VAL A 10 11.841 2.886 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 10 9.497 1.408 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 10 11.186 3.102 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.361 1.569 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.035 2.466 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.328 0.764 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.396 1.012 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.459 0.179 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.572 1.496 0.201 1.00 0.00 H new ATOM 161 N GLU A 11 9.395 4.694 -0.040 1.00 0.00 N ATOM 162 CA GLU A 11 8.502 5.838 0.108 1.00 0.00 C ATOM 163 C GLU A 11 7.527 5.910 -1.062 1.00 0.00 C ATOM 164 O GLU A 11 6.377 6.326 -0.900 1.00 0.00 O ATOM 165 CB GLU A 11 9.306 7.136 0.212 1.00 0.00 C ATOM 166 CG GLU A 11 10.280 7.158 1.380 1.00 0.00 C ATOM 167 CD GLU A 11 9.598 6.991 2.727 1.00 0.00 C ATOM 168 OE1 GLU A 11 9.269 5.841 3.089 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.400 8.008 3.422 1.00 0.00 O ATOM 0 H GLU A 11 10.377 4.939 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 11 7.930 5.710 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.860 7.286 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.616 7.974 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.013 6.362 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.828 8.100 1.371 1.00 0.00 H new ATOM 176 N GLU A 12 7.998 5.513 -2.238 1.00 0.00 N ATOM 177 CA GLU A 12 7.140 5.395 -3.411 1.00 0.00 C ATOM 178 C GLU A 12 5.988 4.430 -3.137 1.00 0.00 C ATOM 179 O GLU A 12 4.822 4.783 -3.305 1.00 0.00 O ATOM 180 CB GLU A 12 7.949 4.916 -4.622 1.00 0.00 C ATOM 181 CG GLU A 12 7.126 4.787 -5.894 1.00 0.00 C ATOM 182 CD GLU A 12 7.939 4.280 -7.069 1.00 0.00 C ATOM 183 OE1 GLU A 12 8.501 5.116 -7.808 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.013 3.047 -7.249 1.00 0.00 O ATOM 0 H GLU A 12 8.974 5.266 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 12 6.727 6.379 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.768 5.613 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.397 3.950 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.292 4.108 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.699 5.758 -6.145 1.00 0.00 H new ATOM 191 N LEU A 13 6.314 3.213 -2.710 1.00 0.00 N ATOM 192 CA LEU A 13 5.289 2.231 -2.384 1.00 0.00 C ATOM 193 C LEU A 13 4.498 2.604 -1.133 1.00 0.00 C ATOM 194 O LEU A 13 3.410 2.069 -0.903 1.00 0.00 O ATOM 195 CB LEU A 13 5.883 0.834 -2.240 1.00 0.00 C ATOM 196 CG LEU A 13 5.920 0.039 -3.541 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.066 0.498 -4.427 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.009 -1.450 -3.259 1.00 0.00 C ATOM 0 H LEU A 13 7.272 2.887 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 13 4.591 2.228 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.897 0.920 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.304 0.278 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 13 4.990 0.225 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.070 -0.085 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.940 1.554 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.011 0.355 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.034 -1.998 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.917 -1.660 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.140 -1.763 -2.680 1.00 0.00 H new ATOM 210 N LEU A 14 5.024 3.510 -0.320 1.00 0.00 N ATOM 211 CA LEU A 14 4.249 4.026 0.787 1.00 0.00 C ATOM 212 C LEU A 14 3.171 4.944 0.244 1.00 0.00 C ATOM 213 O LEU A 14 2.036 4.918 0.704 1.00 0.00 O ATOM 214 CB LEU A 14 5.115 4.761 1.807 1.00 0.00 C ATOM 215 CG LEU A 14 4.450 4.923 3.186 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.469 4.860 4.317 1.00 0.00 C ATOM 217 CD2 LEU A 14 3.663 6.221 3.264 1.00 0.00 C ATOM 0 H LEU A 14 5.965 3.893 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 14 3.797 3.184 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.054 4.221 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.363 5.748 1.415 1.00 0.00 H new ATOM 0 HG LEU A 14 3.761 4.087 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.959 4.978 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.979 3.897 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.199 5.660 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.204 6.310 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.334 7.064 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.886 6.222 2.500 1.00 0.00 H new ATOM 229 N SER A 15 3.530 5.737 -0.752 1.00 0.00 N ATOM 230 CA SER A 15 2.566 6.572 -1.443 1.00 0.00 C ATOM 231 C SER A 15 1.556 5.690 -2.174 1.00 0.00 C ATOM 232 O SER A 15 0.364 6.010 -2.242 1.00 0.00 O ATOM 233 CB SER A 15 3.284 7.502 -2.425 1.00 0.00 C ATOM 234 OG SER A 15 2.380 8.404 -3.032 1.00 0.00 O ATOM 0 H SER A 15 4.485 5.819 -1.100 1.00 0.00 H new ATOM 0 HA SER A 15 2.034 7.187 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.060 8.059 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.781 6.910 -3.193 1.00 0.00 H new ATOM 0 HG SER A 15 2.866 8.986 -3.653 1.00 0.00 H new ATOM 240 N LYS A 16 2.046 4.565 -2.702 1.00 0.00 N ATOM 241 CA LYS A 16 1.196 3.581 -3.355 1.00 0.00 C ATOM 242 C LYS A 16 0.096 3.096 -2.409 1.00 0.00 C ATOM 243 O LYS A 16 -1.077 3.068 -2.783 1.00 0.00 O ATOM 244 CB LYS A 16 2.045 2.397 -3.834 1.00 0.00 C ATOM 245 CG LYS A 16 1.272 1.333 -4.597 1.00 0.00 C ATOM 246 CD LYS A 16 2.185 0.190 -5.020 1.00 0.00 C ATOM 247 CE LYS A 16 1.429 -0.894 -5.773 1.00 0.00 C ATOM 248 NZ LYS A 16 0.878 -0.400 -7.062 1.00 0.00 N ATOM 0 H LYS A 16 3.035 4.317 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 16 0.719 4.051 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.844 2.774 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.519 1.933 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.466 0.947 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.808 1.777 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.985 0.579 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.657 -0.243 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.096 -1.735 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.615 -1.267 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.505 -1.201 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.112 0.278 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.631 0.070 -7.604 1.00 0.00 H new ATOM 262 N ASN A 17 0.465 2.732 -1.180 1.00 0.00 N ATOM 263 CA ASN A 17 -0.518 2.225 -0.226 1.00 0.00 C ATOM 264 C ASN A 17 -1.273 3.366 0.451 1.00 0.00 C ATOM 265 O ASN A 17 -2.444 3.223 0.773 1.00 0.00 O ATOM 266 CB ASN A 17 0.119 1.304 0.830 1.00 0.00 C ATOM 267 CG ASN A 17 0.884 2.040 1.912 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.306 2.514 2.886 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.195 2.101 1.773 1.00 0.00 N ATOM 0 H ASN A 17 1.421 2.778 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.229 1.629 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.665 0.707 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.795 0.609 0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.763 2.553 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.640 1.696 0.950 1.00 0.00 H new ATOM 276 N TYR A 18 -0.606 4.497 0.669 1.00 0.00 N ATOM 277 CA TYR A 18 -1.257 5.668 1.251 1.00 0.00 C ATOM 278 C TYR A 18 -2.482 6.076 0.437 1.00 0.00 C ATOM 279 O TYR A 18 -3.576 6.229 0.980 1.00 0.00 O ATOM 280 CB TYR A 18 -0.276 6.840 1.346 1.00 0.00 C ATOM 281 CG TYR A 18 -0.900 8.114 1.868 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.279 8.229 3.200 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.113 9.200 1.029 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.855 9.390 3.679 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.686 10.364 1.501 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.056 10.454 2.826 1.00 0.00 C ATOM 287 OH TYR A 18 -2.634 11.611 3.300 1.00 0.00 O ATOM 0 H TYR A 18 0.382 4.627 0.452 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.585 5.401 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.551 6.558 1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.146 7.030 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.121 7.398 3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.826 9.133 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.146 9.463 4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.844 11.200 0.836 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.704 12.264 2.572 1.00 0.00 H new ATOM 297 N HIS A 19 -2.299 6.232 -0.869 1.00 0.00 N ATOM 298 CA HIS A 19 -3.400 6.617 -1.749 1.00 0.00 C ATOM 299 C HIS A 19 -4.409 5.482 -1.879 1.00 0.00 C ATOM 300 O HIS A 19 -5.604 5.710 -2.080 1.00 0.00 O ATOM 301 CB HIS A 19 -2.881 7.009 -3.134 1.00 0.00 C ATOM 302 CG HIS A 19 -2.128 8.301 -3.150 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.781 8.386 -3.423 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.547 9.569 -2.936 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.404 9.648 -3.371 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.457 10.386 -3.080 1.00 0.00 N ATOM 0 H HIS A 19 -1.405 6.099 -1.341 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.894 7.480 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.233 6.216 -3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.724 7.081 -3.821 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.171 7.596 -3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.553 9.879 -2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.598 10.015 -3.538 1.00 0.00 H new ATOM 315 N LEU A 20 -3.920 4.260 -1.756 1.00 0.00 N ATOM 316 CA LEU A 20 -4.759 3.087 -1.827 1.00 0.00 C ATOM 317 C LEU A 20 -5.620 2.988 -0.569 1.00 0.00 C ATOM 318 O LEU A 20 -6.738 2.478 -0.601 1.00 0.00 O ATOM 319 CB LEU A 20 -3.871 1.857 -1.986 1.00 0.00 C ATOM 320 CG LEU A 20 -4.598 0.548 -2.242 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.399 0.616 -3.534 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.601 -0.596 -2.290 1.00 0.00 C ATOM 0 H LEU A 20 -2.932 4.058 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.428 3.153 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.180 2.035 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.270 1.747 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.297 0.372 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.910 -0.333 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.135 1.417 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.727 0.812 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.129 -1.532 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.884 -0.420 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.073 -0.659 -1.339 1.00 0.00 H new ATOM 334 N GLU A 21 -5.091 3.501 0.537 1.00 0.00 N ATOM 335 CA GLU A 21 -5.836 3.577 1.785 1.00 0.00 C ATOM 336 C GLU A 21 -7.007 4.542 1.636 1.00 0.00 C ATOM 337 O GLU A 21 -8.087 4.313 2.181 1.00 0.00 O ATOM 338 CB GLU A 21 -4.915 4.022 2.924 1.00 0.00 C ATOM 339 CG GLU A 21 -5.585 4.048 4.287 1.00 0.00 C ATOM 340 CD GLU A 21 -4.647 4.516 5.382 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.676 5.719 5.715 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.879 3.679 5.899 1.00 0.00 O ATOM 0 H GLU A 21 -4.143 3.872 0.592 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.228 2.589 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.056 3.352 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.532 5.018 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.453 4.706 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.952 3.050 4.528 1.00 0.00 H new ATOM 349 N ASN A 22 -6.793 5.612 0.872 1.00 0.00 N ATOM 350 CA ASN A 22 -7.863 6.562 0.570 1.00 0.00 C ATOM 351 C ASN A 22 -8.984 5.864 -0.191 1.00 0.00 C ATOM 352 O ASN A 22 -10.155 6.227 -0.080 1.00 0.00 O ATOM 353 CB ASN A 22 -7.344 7.745 -0.251 1.00 0.00 C ATOM 354 CG ASN A 22 -6.468 8.679 0.559 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.244 8.549 0.576 1.00 0.00 O ATOM 356 ND2 ASN A 22 -7.090 9.628 1.242 1.00 0.00 N ATOM 0 H ASN A 22 -5.892 5.842 0.452 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.246 6.944 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.777 7.370 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.190 8.303 -0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.553 10.284 1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.106 9.703 1.202 1.00 0.00 H new ATOM 363 N GLU A 23 -8.609 4.842 -0.951 1.00 0.00 N ATOM 364 CA GLU A 23 -9.561 4.068 -1.733 1.00 0.00 C ATOM 365 C GLU A 23 -10.424 3.202 -0.820 1.00 0.00 C ATOM 366 O GLU A 23 -11.626 3.059 -1.036 1.00 0.00 O ATOM 367 CB GLU A 23 -8.825 3.188 -2.746 1.00 0.00 C ATOM 368 CG GLU A 23 -7.943 3.969 -3.709 1.00 0.00 C ATOM 369 CD GLU A 23 -8.738 4.877 -4.627 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.067 6.005 -4.206 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.029 4.461 -5.765 1.00 0.00 O ATOM 0 H GLU A 23 -7.642 4.529 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.208 4.761 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.210 2.467 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.557 2.618 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.232 4.568 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.362 3.270 -4.311 1.00 0.00 H new ATOM 378 N VAL A 24 -9.806 2.635 0.209 1.00 0.00 N ATOM 379 CA VAL A 24 -10.532 1.804 1.159 1.00 0.00 C ATOM 380 C VAL A 24 -11.469 2.666 1.995 1.00 0.00 C ATOM 381 O VAL A 24 -12.612 2.293 2.253 1.00 0.00 O ATOM 382 CB VAL A 24 -9.591 1.028 2.113 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.370 -0.005 2.918 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.464 0.358 1.351 1.00 0.00 C ATOM 0 H VAL A 24 -8.810 2.735 0.406 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.094 1.077 0.573 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.152 1.750 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.689 -0.538 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.135 0.497 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.844 -0.714 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.821 -0.178 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.880 -0.344 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.879 1.114 0.827 1.00 0.00 H new ATOM 394 N ALA A 25 -10.981 3.839 2.385 1.00 0.00 N ATOM 395 CA ALA A 25 -11.733 4.723 3.269 1.00 0.00 C ATOM 396 C ALA A 25 -13.025 5.210 2.625 1.00 0.00 C ATOM 397 O ALA A 25 -14.063 5.279 3.286 1.00 0.00 O ATOM 398 CB ALA A 25 -10.883 5.908 3.696 1.00 0.00 C ATOM 0 H ALA A 25 -10.069 4.199 2.103 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.001 4.141 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.464 6.554 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.000 5.550 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.575 6.471 2.815 1.00 0.00 H new ATOM 404 N ARG A 26 -12.969 5.546 1.338 1.00 0.00 N ATOM 405 CA ARG A 26 -14.144 6.046 0.648 1.00 0.00 C ATOM 406 C ARG A 26 -15.222 4.977 0.549 1.00 0.00 C ATOM 407 O ARG A 26 -16.397 5.242 0.787 1.00 0.00 O ATOM 408 CB ARG A 26 -13.798 6.586 -0.743 1.00 0.00 C ATOM 409 CG ARG A 26 -12.939 5.677 -1.614 1.00 0.00 C ATOM 410 CD ARG A 26 -12.792 6.251 -3.013 1.00 0.00 C ATOM 411 NE ARG A 26 -14.094 6.514 -3.628 1.00 0.00 N ATOM 412 CZ ARG A 26 -14.459 6.092 -4.839 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.637 5.354 -5.577 1.00 0.00 N ATOM 414 NH2 ARG A 26 -15.661 6.404 -5.304 1.00 0.00 N ATOM 0 H ARG A 26 -12.130 5.480 0.762 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.533 6.873 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.728 6.793 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.281 7.538 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.955 5.555 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.390 4.686 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.217 7.176 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.229 5.555 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.770 7.059 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.715 5.104 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.928 5.037 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.298 6.963 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.948 6.085 -6.229 1.00 0.00 H new ATOM 428 N LEU A 27 -14.819 3.767 0.217 1.00 0.00 N ATOM 429 CA LEU A 27 -15.758 2.662 0.096 1.00 0.00 C ATOM 430 C LEU A 27 -16.297 2.235 1.451 1.00 0.00 C ATOM 431 O LEU A 27 -17.479 1.924 1.577 1.00 0.00 O ATOM 432 CB LEU A 27 -15.094 1.481 -0.582 1.00 0.00 C ATOM 433 CG LEU A 27 -14.568 1.747 -1.981 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.542 0.705 -2.352 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.711 1.751 -2.980 1.00 0.00 C ATOM 0 H LEU A 27 -13.848 3.520 0.025 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.595 3.008 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.266 1.144 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.811 0.661 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.092 2.727 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.170 0.903 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.714 0.742 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.000 -0.283 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.320 1.943 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.210 0.782 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.424 2.531 -2.714 1.00 0.00 H new ATOM 447 N LYS A 28 -15.428 2.216 2.454 1.00 0.00 N ATOM 448 CA LYS A 28 -15.809 1.821 3.807 1.00 0.00 C ATOM 449 C LYS A 28 -17.064 2.559 4.280 1.00 0.00 C ATOM 450 O LYS A 28 -17.997 1.938 4.794 1.00 0.00 O ATOM 451 CB LYS A 28 -14.651 2.082 4.777 1.00 0.00 C ATOM 452 CG LYS A 28 -14.821 1.418 6.135 1.00 0.00 C ATOM 453 CD LYS A 28 -14.903 -0.096 6.007 1.00 0.00 C ATOM 454 CE LYS A 28 -14.926 -0.776 7.364 1.00 0.00 C ATOM 455 NZ LYS A 28 -16.108 -0.379 8.176 1.00 0.00 N ATOM 0 H LYS A 28 -14.446 2.472 2.355 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.036 0.755 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.725 1.728 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.546 3.157 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.984 1.685 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.725 1.794 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.800 -0.366 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.050 -0.459 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.930 -1.857 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.015 -0.527 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.135 -0.943 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.040 0.630 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.977 -0.546 7.629 1.00 0.00 H new ATOM 469 N LYS A 29 -17.097 3.872 4.087 1.00 0.00 N ATOM 470 CA LYS A 29 -18.232 4.668 4.521 1.00 0.00 C ATOM 471 C LYS A 29 -19.420 4.518 3.573 1.00 0.00 C ATOM 472 O LYS A 29 -20.564 4.710 3.976 1.00 0.00 O ATOM 473 CB LYS A 29 -17.839 6.139 4.647 1.00 0.00 C ATOM 474 CG LYS A 29 -17.329 6.759 3.358 1.00 0.00 C ATOM 475 CD LYS A 29 -16.989 8.226 3.544 1.00 0.00 C ATOM 476 CE LYS A 29 -16.481 8.845 2.253 1.00 0.00 C ATOM 477 NZ LYS A 29 -16.118 10.274 2.426 1.00 0.00 N ATOM 0 H LYS A 29 -16.353 4.404 3.635 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.537 4.298 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.703 6.706 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.069 6.234 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.445 6.220 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.084 6.655 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.873 8.765 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.232 8.330 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.611 8.290 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.247 8.756 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.776 10.657 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.954 10.810 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.369 10.358 3.142 1.00 0.00 H new ATOM 491 N LEU A 30 -19.153 4.167 2.321 1.00 0.00 N ATOM 492 CA LEU A 30 -20.219 3.956 1.343 1.00 0.00 C ATOM 493 C LEU A 30 -20.928 2.629 1.592 1.00 0.00 C ATOM 494 O LEU A 30 -22.125 2.497 1.340 1.00 0.00 O ATOM 495 CB LEU A 30 -19.669 4.010 -0.087 1.00 0.00 C ATOM 496 CG LEU A 30 -19.789 5.370 -0.786 1.00 0.00 C ATOM 497 CD1 LEU A 30 -19.104 6.465 0.015 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.206 5.298 -2.189 1.00 0.00 C ATOM 0 H LEU A 30 -18.211 4.022 1.957 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.945 4.761 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.618 3.723 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.190 3.264 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.848 5.618 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -19.207 7.416 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.566 6.539 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.047 6.226 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.299 6.271 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.154 5.020 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.747 4.551 -2.770 1.00 0.00 H new ATOM 510 N VAL A 31 -20.187 1.648 2.091 1.00 0.00 N ATOM 511 CA VAL A 31 -20.777 0.374 2.479 1.00 0.00 C ATOM 512 C VAL A 31 -21.461 0.520 3.835 1.00 0.00 C ATOM 513 O VAL A 31 -22.386 -0.218 4.166 1.00 0.00 O ATOM 514 CB VAL A 31 -19.724 -0.759 2.546 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.376 -2.096 2.865 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.953 -0.851 1.243 1.00 0.00 C ATOM 0 H VAL A 31 -19.179 1.710 2.236 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.506 0.101 1.717 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.028 -0.518 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.612 -2.873 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.882 -2.034 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.102 -2.341 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.218 -1.653 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.643 -1.060 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.443 0.094 1.055 1.00 0.00 H new ATOM 526 N GLY A 32 -21.001 1.495 4.608 1.00 0.00 N ATOM 527 CA GLY A 32 -21.590 1.754 5.902 1.00 0.00 C ATOM 528 C GLY A 32 -22.871 2.553 5.793 1.00 0.00 C ATOM 529 O GLY A 32 -23.917 2.140 6.300 1.00 0.00 O ATOM 0 H GLY A 32 -20.228 2.112 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.795 0.808 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.877 2.296 6.523 1.00 0.00 H new ATOM 533 N GLU A 33 -22.792 3.698 5.132 1.00 0.00 N ATOM 534 CA GLU A 33 -23.950 4.553 4.944 1.00 0.00 C ATOM 535 C GLU A 33 -24.356 4.575 3.475 1.00 0.00 C ATOM 536 O GLU A 33 -23.816 5.407 2.720 1.00 0.00 O ATOM 537 CB GLU A 33 -23.655 5.974 5.431 1.00 0.00 C ATOM 538 CG GLU A 33 -23.242 6.045 6.892 1.00 0.00 C ATOM 539 CD GLU A 33 -23.036 7.469 7.365 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.008 8.075 6.996 1.00 0.00 O ATOM 541 OE2 GLU A 33 -23.901 7.978 8.108 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.208 3.751 3.082 1.00 0.00 O ATOM 0 H GLU A 33 -21.933 4.056 4.716 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.775 4.150 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.862 6.402 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.541 6.591 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.006 5.568 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.320 5.481 7.034 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 26.370 -2.636 0.000 1.00 0.00 N ATOM 551 CA GLY B 1 25.637 -3.838 0.459 1.00 0.00 C ATOM 552 C GLY B 1 24.378 -3.478 1.219 1.00 0.00 C ATOM 553 O GLY B 1 23.933 -2.330 1.166 1.00 0.00 O ATOM 0 H1 GLY B 1 26.562 -2.714 -1.019 1.00 0.00 H new ATOM 0 H2 GLY B 1 25.794 -1.789 0.180 1.00 0.00 H new ATOM 0 H3 GLY B 1 27.269 -2.560 0.516 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.377 -4.455 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY B 1 26.287 -4.437 1.097 1.00 0.00 H new ATOM 559 N SER B 2 23.800 -4.471 1.902 1.00 0.00 N ATOM 560 CA SER B 2 22.593 -4.282 2.720 1.00 0.00 C ATOM 561 C SER B 2 21.362 -4.094 1.834 1.00 0.00 C ATOM 562 O SER B 2 20.284 -3.732 2.310 1.00 0.00 O ATOM 563 CB SER B 2 22.760 -3.090 3.671 1.00 0.00 C ATOM 564 OG SER B 2 23.905 -3.253 4.496 1.00 0.00 O ATOM 0 H SER B 2 24.153 -5.428 1.905 1.00 0.00 H new ATOM 0 HA SER B 2 22.448 -5.180 3.321 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.851 -2.170 3.094 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.871 -2.989 4.293 1.00 0.00 H new ATOM 0 HG SER B 2 23.991 -2.480 5.092 1.00 0.00 H new ATOM 570 N MET B 3 21.528 -4.393 0.551 1.00 0.00 N ATOM 571 CA MET B 3 20.468 -4.215 -0.433 1.00 0.00 C ATOM 572 C MET B 3 19.310 -5.167 -0.177 1.00 0.00 C ATOM 573 O MET B 3 18.160 -4.844 -0.467 1.00 0.00 O ATOM 574 CB MET B 3 21.015 -4.428 -1.844 1.00 0.00 C ATOM 575 CG MET B 3 21.849 -3.267 -2.357 1.00 0.00 C ATOM 576 SD MET B 3 20.882 -1.755 -2.538 1.00 0.00 S ATOM 577 CE MET B 3 22.141 -0.613 -3.096 1.00 0.00 C ATOM 0 H MET B 3 22.396 -4.764 0.165 1.00 0.00 H new ATOM 0 HA MET B 3 20.096 -3.195 -0.341 1.00 0.00 H new ATOM 0 HB2 MET B 3 21.622 -5.333 -1.856 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.181 -4.594 -2.526 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.676 -3.086 -1.671 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.285 -3.534 -3.320 1.00 0.00 H new ATOM 0 HE1 MET B 3 22.226 0.210 -2.386 1.00 0.00 H new ATOM 0 HE2 MET B 3 23.097 -1.132 -3.166 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.868 -0.221 -4.076 1.00 0.00 H new ATOM 587 N LYS B 4 19.618 -6.336 0.376 1.00 0.00 N ATOM 588 CA LYS B 4 18.601 -7.339 0.667 1.00 0.00 C ATOM 589 C LYS B 4 17.517 -6.763 1.573 1.00 0.00 C ATOM 590 O LYS B 4 16.329 -6.849 1.268 1.00 0.00 O ATOM 591 CB LYS B 4 19.232 -8.566 1.333 1.00 0.00 C ATOM 592 CG LYS B 4 18.234 -9.673 1.646 1.00 0.00 C ATOM 593 CD LYS B 4 18.891 -10.850 2.353 1.00 0.00 C ATOM 594 CE LYS B 4 19.941 -11.521 1.480 1.00 0.00 C ATOM 595 NZ LYS B 4 19.361 -12.058 0.222 1.00 0.00 N ATOM 0 H LYS B 4 20.566 -6.612 0.632 1.00 0.00 H new ATOM 0 HA LYS B 4 18.147 -7.640 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.009 -8.963 0.680 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.720 -8.256 2.257 1.00 0.00 H new ATOM 0 HG2 LYS B 4 17.435 -9.275 2.271 1.00 0.00 H new ATOM 0 HG3 LYS B 4 17.773 -10.018 0.720 1.00 0.00 H new ATOM 0 HD2 LYS B 4 19.354 -10.506 3.278 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.129 -11.579 2.630 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.725 -10.803 1.240 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.411 -12.331 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.049 -12.690 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.493 -12.589 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 19.135 -11.271 -0.419 1.00 0.00 H new ATOM 609 N GLN B 5 17.939 -6.155 2.672 1.00 0.00 N ATOM 610 CA GLN B 5 17.010 -5.623 3.661 1.00 0.00 C ATOM 611 C GLN B 5 16.211 -4.455 3.093 1.00 0.00 C ATOM 612 O GLN B 5 15.037 -4.286 3.415 1.00 0.00 O ATOM 613 CB GLN B 5 17.751 -5.188 4.932 1.00 0.00 C ATOM 614 CG GLN B 5 18.358 -6.344 5.720 1.00 0.00 C ATOM 615 CD GLN B 5 19.564 -6.975 5.042 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.792 -8.178 5.155 1.00 0.00 O ATOM 617 NE2 GLN B 5 20.361 -6.165 4.362 1.00 0.00 N ATOM 0 H GLN B 5 18.923 -6.017 2.903 1.00 0.00 H new ATOM 0 HA GLN B 5 16.315 -6.421 3.921 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.544 -4.492 4.658 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.059 -4.646 5.576 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.652 -5.986 6.706 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.596 -7.108 5.873 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.138 -5.172 4.291 1.00 0.00 H new ATOM 0 HE22 GLN B 5 21.197 -6.534 3.910 1.00 0.00 H new ATOM 626 N LEU B 6 16.845 -3.662 2.239 1.00 0.00 N ATOM 627 CA LEU B 6 16.172 -2.528 1.611 1.00 0.00 C ATOM 628 C LEU B 6 15.125 -3.005 0.608 1.00 0.00 C ATOM 629 O LEU B 6 14.009 -2.490 0.568 1.00 0.00 O ATOM 630 CB LEU B 6 17.183 -1.603 0.925 1.00 0.00 C ATOM 631 CG LEU B 6 17.795 -0.509 1.814 1.00 0.00 C ATOM 632 CD1 LEU B 6 16.718 0.446 2.305 1.00 0.00 C ATOM 633 CD2 LEU B 6 18.546 -1.115 2.990 1.00 0.00 C ATOM 0 H LEU B 6 17.820 -3.781 1.965 1.00 0.00 H new ATOM 0 HA LEU B 6 15.667 -1.964 2.395 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.992 -2.213 0.523 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.693 -1.125 0.077 1.00 0.00 H new ATOM 0 HG LEU B 6 18.509 0.053 1.211 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.171 1.213 2.933 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.232 0.917 1.450 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.978 -0.107 2.884 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.968 -0.318 3.602 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.860 -1.710 3.593 1.00 0.00 H new ATOM 0 HD23 LEU B 6 19.349 -1.752 2.620 1.00 0.00 H new ATOM 645 N GLU B 7 15.485 -4.003 -0.190 1.00 0.00 N ATOM 646 CA GLU B 7 14.561 -4.569 -1.166 1.00 0.00 C ATOM 647 C GLU B 7 13.413 -5.288 -0.466 1.00 0.00 C ATOM 648 O GLU B 7 12.261 -5.191 -0.888 1.00 0.00 O ATOM 649 CB GLU B 7 15.291 -5.527 -2.107 1.00 0.00 C ATOM 650 CG GLU B 7 16.319 -4.839 -2.990 1.00 0.00 C ATOM 651 CD GLU B 7 17.071 -5.810 -3.879 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.560 -6.129 -4.972 1.00 0.00 O ATOM 653 OE2 GLU B 7 18.171 -6.249 -3.482 1.00 0.00 O ATOM 0 H GLU B 7 16.408 -4.437 -0.181 1.00 0.00 H new ATOM 0 HA GLU B 7 14.148 -3.751 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.787 -6.297 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU B 7 14.560 -6.032 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.819 -4.096 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.030 -4.302 -2.362 1.00 0.00 H new ATOM 660 N ASP B 8 13.730 -5.994 0.616 1.00 0.00 N ATOM 661 CA ASP B 8 12.712 -6.682 1.406 1.00 0.00 C ATOM 662 C ASP B 8 11.784 -5.682 2.084 1.00 0.00 C ATOM 663 O ASP B 8 10.630 -5.990 2.368 1.00 0.00 O ATOM 664 CB ASP B 8 13.347 -7.595 2.458 1.00 0.00 C ATOM 665 CG ASP B 8 13.721 -8.956 1.902 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.918 -9.184 1.636 1.00 0.00 O ATOM 667 OD2 ASP B 8 12.814 -9.794 1.731 1.00 0.00 O ATOM 0 H ASP B 8 14.682 -6.105 0.966 1.00 0.00 H new ATOM 0 HA ASP B 8 12.129 -7.297 0.720 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.238 -7.114 2.860 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.652 -7.724 3.288 1.00 0.00 H new ATOM 672 N LYS B 9 12.296 -4.484 2.335 1.00 0.00 N ATOM 673 CA LYS B 9 11.498 -3.417 2.925 1.00 0.00 C ATOM 674 C LYS B 9 10.467 -2.925 1.913 1.00 0.00 C ATOM 675 O LYS B 9 9.324 -2.624 2.264 1.00 0.00 O ATOM 676 CB LYS B 9 12.409 -2.270 3.373 1.00 0.00 C ATOM 677 CG LYS B 9 11.742 -1.271 4.304 1.00 0.00 C ATOM 678 CD LYS B 9 12.749 -0.261 4.830 1.00 0.00 C ATOM 679 CE LYS B 9 12.153 0.626 5.910 1.00 0.00 C ATOM 680 NZ LYS B 9 11.037 1.467 5.402 1.00 0.00 N ATOM 0 H LYS B 9 13.263 -4.226 2.139 1.00 0.00 H new ATOM 0 HA LYS B 9 10.972 -3.799 3.800 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.282 -2.689 3.873 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.770 -1.742 2.490 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.943 -0.752 3.774 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.280 -1.798 5.139 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.615 -0.787 5.230 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.105 0.359 4.007 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.792 0.004 6.729 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.932 1.269 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.653 2.041 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.389 2.093 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.287 0.855 5.021 1.00 0.00 H new ATOM 694 N VAL B 10 10.877 -2.869 0.650 1.00 0.00 N ATOM 695 CA VAL B 10 9.975 -2.518 -0.440 1.00 0.00 C ATOM 696 C VAL B 10 8.930 -3.612 -0.624 1.00 0.00 C ATOM 697 O VAL B 10 7.742 -3.335 -0.775 1.00 0.00 O ATOM 698 CB VAL B 10 10.734 -2.319 -1.771 1.00 0.00 C ATOM 699 CG1 VAL B 10 9.785 -1.881 -2.876 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.860 -1.312 -1.607 1.00 0.00 C ATOM 0 H VAL B 10 11.834 -3.064 0.355 1.00 0.00 H new ATOM 0 HA VAL B 10 9.494 -1.577 -0.174 1.00 0.00 H new ATOM 0 HB VAL B 10 11.170 -3.277 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL B 10 10.343 -1.747 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.018 -2.642 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL B 10 9.313 -0.939 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.379 -1.189 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.448 -0.353 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL B 10 12.562 -1.670 -0.854 1.00 0.00 H new ATOM 710 N GLU B 11 9.382 -4.863 -0.593 1.00 0.00 N ATOM 711 CA GLU B 11 8.485 -6.004 -0.734 1.00 0.00 C ATOM 712 C GLU B 11 7.513 -6.067 0.439 1.00 0.00 C ATOM 713 O GLU B 11 6.358 -6.468 0.281 1.00 0.00 O ATOM 714 CB GLU B 11 9.283 -7.306 -0.837 1.00 0.00 C ATOM 715 CG GLU B 11 10.251 -7.334 -2.009 1.00 0.00 C ATOM 716 CD GLU B 11 9.562 -7.172 -3.354 1.00 0.00 C ATOM 717 OE1 GLU B 11 9.224 -6.025 -3.714 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.374 -8.189 -4.048 1.00 0.00 O ATOM 0 H GLU B 11 10.364 -5.111 -0.471 1.00 0.00 H new ATOM 0 HA GLU B 11 7.911 -5.878 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU B 11 9.840 -7.455 0.088 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.589 -8.142 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.985 -6.538 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.798 -8.277 -1.999 1.00 0.00 H new ATOM 725 N GLU B 12 7.993 -5.675 1.613 1.00 0.00 N ATOM 726 CA GLU B 12 7.142 -5.552 2.789 1.00 0.00 C ATOM 727 C GLU B 12 5.991 -4.585 2.515 1.00 0.00 C ATOM 728 O GLU B 12 4.825 -4.937 2.680 1.00 0.00 O ATOM 729 CB GLU B 12 7.956 -5.074 3.995 1.00 0.00 C ATOM 730 CG GLU B 12 7.139 -4.939 5.269 1.00 0.00 C ATOM 731 CD GLU B 12 7.962 -4.439 6.440 1.00 0.00 C ATOM 732 OE1 GLU B 12 8.517 -5.282 7.176 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.053 -3.206 6.620 1.00 0.00 O ATOM 0 H GLU B 12 8.971 -5.436 1.776 1.00 0.00 H new ATOM 0 HA GLU B 12 6.728 -6.534 3.016 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.773 -5.773 4.171 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.406 -4.110 3.759 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.310 -4.253 5.093 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.705 -5.906 5.522 1.00 0.00 H new ATOM 740 N LEU B 13 6.318 -3.370 2.087 1.00 0.00 N ATOM 741 CA LEU B 13 5.293 -2.387 1.764 1.00 0.00 C ATOM 742 C LEU B 13 4.495 -2.760 0.519 1.00 0.00 C ATOM 743 O LEU B 13 3.407 -2.223 0.293 1.00 0.00 O ATOM 744 CB LEU B 13 5.888 -0.991 1.615 1.00 0.00 C ATOM 745 CG LEU B 13 5.931 -0.194 2.916 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.080 -0.654 3.800 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.024 1.294 2.627 1.00 0.00 C ATOM 0 H LEU B 13 7.276 -3.045 1.957 1.00 0.00 H new ATOM 0 HA LEU B 13 4.600 -2.382 2.605 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.900 -1.079 1.221 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.306 -0.436 0.879 1.00 0.00 H new ATOM 0 HG LEU B 13 5.004 -0.377 3.459 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.088 -0.070 4.720 1.00 0.00 H new ATOM 0 HD12 LEU B 13 6.953 -1.709 4.041 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.024 -0.513 3.273 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.054 1.846 3.566 1.00 0.00 H new ATOM 0 HD22 LEU B 13 6.931 1.498 2.058 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.154 1.607 2.049 1.00 0.00 H new ATOM 759 N LEU B 14 5.016 -3.669 -0.296 1.00 0.00 N ATOM 760 CA LEU B 14 4.234 -4.186 -1.399 1.00 0.00 C ATOM 761 C LEU B 14 3.156 -5.103 -0.850 1.00 0.00 C ATOM 762 O LEU B 14 2.022 -5.083 -1.311 1.00 0.00 O ATOM 763 CB LEU B 14 5.094 -4.926 -2.422 1.00 0.00 C ATOM 764 CG LEU B 14 4.423 -5.087 -3.798 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.436 -5.026 -4.932 1.00 0.00 C ATOM 766 CD2 LEU B 14 3.637 -6.384 -3.872 1.00 0.00 C ATOM 0 H LEU B 14 5.957 -4.054 -0.213 1.00 0.00 H new ATOM 0 HA LEU B 14 3.781 -3.344 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.035 -4.390 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.339 -5.913 -2.030 1.00 0.00 H new ATOM 0 HG LEU B 14 3.734 -4.250 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.922 -5.144 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.947 -4.064 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.165 -5.827 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU B 14 3.173 -6.473 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.309 -7.227 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU B 14 2.863 -6.385 -3.104 1.00 0.00 H new ATOM 778 N SER B 15 3.517 -5.891 0.149 1.00 0.00 N ATOM 779 CA SER B 15 2.553 -6.726 0.843 1.00 0.00 C ATOM 780 C SER B 15 1.549 -5.839 1.576 1.00 0.00 C ATOM 781 O SER B 15 0.356 -6.155 1.651 1.00 0.00 O ATOM 782 CB SER B 15 3.271 -7.657 1.823 1.00 0.00 C ATOM 783 OG SER B 15 2.371 -8.566 2.429 1.00 0.00 O ATOM 0 H SER B 15 4.472 -5.969 0.497 1.00 0.00 H new ATOM 0 HA SER B 15 2.018 -7.342 0.120 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.049 -8.210 1.297 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.765 -7.065 2.593 1.00 0.00 H new ATOM 0 HG SER B 15 2.860 -9.147 3.048 1.00 0.00 H new ATOM 789 N LYS B 16 2.042 -4.716 2.099 1.00 0.00 N ATOM 790 CA LYS B 16 1.197 -3.727 2.752 1.00 0.00 C ATOM 791 C LYS B 16 0.094 -3.244 1.806 1.00 0.00 C ATOM 792 O LYS B 16 -1.079 -3.224 2.177 1.00 0.00 O ATOM 793 CB LYS B 16 2.052 -2.544 3.226 1.00 0.00 C ATOM 794 CG LYS B 16 1.284 -1.478 3.992 1.00 0.00 C ATOM 795 CD LYS B 16 2.202 -0.337 4.406 1.00 0.00 C ATOM 796 CE LYS B 16 1.451 0.750 5.163 1.00 0.00 C ATOM 797 NZ LYS B 16 0.913 0.262 6.459 1.00 0.00 N ATOM 0 H LYS B 16 3.032 -4.471 2.080 1.00 0.00 H new ATOM 0 HA LYS B 16 0.721 -4.191 3.616 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.854 -2.922 3.860 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.523 -2.082 2.358 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.475 -1.092 3.372 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.825 -1.920 4.877 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.005 -0.726 5.032 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.668 0.094 3.520 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.119 1.593 5.343 1.00 0.00 H new ATOM 0 HE3 LYS B 16 0.631 1.119 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.545 1.066 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.146 -0.417 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.672 -0.204 6.996 1.00 0.00 H new ATOM 811 N ASN B 17 0.461 -2.878 0.577 1.00 0.00 N ATOM 812 CA ASN B 17 -0.524 -2.371 -0.374 1.00 0.00 C ATOM 813 C ASN B 17 -1.283 -3.515 -1.048 1.00 0.00 C ATOM 814 O ASN B 17 -2.454 -3.367 -1.371 1.00 0.00 O ATOM 815 CB ASN B 17 0.110 -1.453 -1.435 1.00 0.00 C ATOM 816 CG ASN B 17 0.867 -2.193 -2.520 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.281 -2.667 -3.493 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.178 -2.258 -2.387 1.00 0.00 N ATOM 0 H ASN B 17 1.416 -2.922 0.223 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.232 -1.773 0.200 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.675 -0.854 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.790 -0.760 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.742 -2.713 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.628 -1.853 -1.566 1.00 0.00 H new ATOM 825 N TYR B 18 -0.620 -4.647 -1.264 1.00 0.00 N ATOM 826 CA TYR B 18 -1.276 -5.817 -1.842 1.00 0.00 C ATOM 827 C TYR B 18 -2.498 -6.222 -1.022 1.00 0.00 C ATOM 828 O TYR B 18 -3.593 -6.376 -1.563 1.00 0.00 O ATOM 829 CB TYR B 18 -0.297 -6.990 -1.939 1.00 0.00 C ATOM 830 CG TYR B 18 -0.927 -8.266 -2.455 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.313 -8.385 -3.784 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.136 -9.349 -1.611 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.891 -9.548 -4.257 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.712 -10.514 -2.078 1.00 0.00 C ATOM 835 CZ TYR B 18 -2.088 -10.609 -3.398 1.00 0.00 C ATOM 836 OH TYR B 18 -2.666 -11.769 -3.862 1.00 0.00 O ATOM 0 H TYR B 18 0.368 -4.780 -1.049 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.608 -5.551 -2.845 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.527 -6.711 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.130 -7.178 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.159 -7.556 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.844 -9.279 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.187 -9.625 -5.293 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.867 -11.348 -1.409 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.732 -12.417 -3.130 1.00 0.00 H new ATOM 846 N HIS B 19 -2.311 -6.376 0.284 1.00 0.00 N ATOM 847 CA HIS B 19 -3.409 -6.755 1.170 1.00 0.00 C ATOM 848 C HIS B 19 -4.416 -5.618 1.291 1.00 0.00 C ATOM 849 O HIS B 19 -5.615 -5.842 1.461 1.00 0.00 O ATOM 850 CB HIS B 19 -2.887 -7.144 2.554 1.00 0.00 C ATOM 851 CG HIS B 19 -2.137 -8.438 2.570 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.790 -8.528 2.837 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.560 -9.705 2.358 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.416 -9.790 2.784 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.470 -10.527 2.496 1.00 0.00 N ATOM 0 H HIS B 19 -1.414 -6.245 0.752 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.907 -7.621 0.734 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.236 -6.352 2.923 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.728 -7.213 3.244 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.176 -7.740 3.044 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.568 -10.013 2.124 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.586 -10.159 2.949 1.00 0.00 H new ATOM 864 N LEU B 20 -3.921 -4.395 1.179 1.00 0.00 N ATOM 865 CA LEU B 20 -4.759 -3.221 1.251 1.00 0.00 C ATOM 866 C LEU B 20 -5.626 -3.125 -0.002 1.00 0.00 C ATOM 867 O LEU B 20 -6.745 -2.616 0.034 1.00 0.00 O ATOM 868 CB LEU B 20 -3.869 -1.992 1.403 1.00 0.00 C ATOM 869 CG LEU B 20 -4.592 -0.683 1.661 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.386 -0.748 2.958 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.592 0.458 1.703 1.00 0.00 C ATOM 0 H LEU B 20 -2.931 -4.195 1.036 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.425 -3.283 2.112 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.173 -2.169 2.223 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.273 -1.884 0.497 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.296 -0.507 0.847 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.895 0.202 3.121 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.123 -1.548 2.894 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.709 -0.944 3.790 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.117 1.395 1.888 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.872 0.281 2.502 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.068 0.518 0.749 1.00 0.00 H new ATOM 883 N GLU B 21 -5.102 -3.638 -1.108 1.00 0.00 N ATOM 884 CA GLU B 21 -5.854 -3.715 -2.353 1.00 0.00 C ATOM 885 C GLU B 21 -7.026 -4.679 -2.201 1.00 0.00 C ATOM 886 O GLU B 21 -8.107 -4.452 -2.748 1.00 0.00 O ATOM 887 CB GLU B 21 -4.937 -4.162 -3.495 1.00 0.00 C ATOM 888 CG GLU B 21 -5.615 -4.190 -4.853 1.00 0.00 C ATOM 889 CD GLU B 21 -4.687 -4.662 -5.955 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.696 -5.872 -6.264 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.949 -3.821 -6.504 1.00 0.00 O ATOM 0 H GLU B 21 -4.154 -4.009 -1.167 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.247 -2.726 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.079 -3.492 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.553 -5.157 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.484 -4.846 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.981 -3.192 -5.093 1.00 0.00 H new ATOM 898 N ASN B 22 -6.811 -5.747 -1.432 1.00 0.00 N ATOM 899 CA ASN B 22 -7.881 -6.695 -1.125 1.00 0.00 C ATOM 900 C ASN B 22 -8.999 -5.995 -0.365 1.00 0.00 C ATOM 901 O ASN B 22 -10.172 -6.356 -0.479 1.00 0.00 O ATOM 902 CB ASN B 22 -7.361 -7.878 -0.301 1.00 0.00 C ATOM 903 CG ASN B 22 -6.491 -8.821 -1.108 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.266 -8.702 -1.125 1.00 0.00 O ATOM 905 ND2 ASN B 22 -7.118 -9.766 -1.788 1.00 0.00 N ATOM 0 H ASN B 22 -5.910 -5.976 -1.012 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.266 -7.079 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.790 -7.501 0.547 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.208 -8.431 0.106 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -6.585 -10.428 -2.351 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -8.135 -9.833 -1.749 1.00 0.00 H new ATOM 912 N GLU B 23 -8.621 -4.972 0.393 1.00 0.00 N ATOM 913 CA GLU B 23 -9.569 -4.195 1.178 1.00 0.00 C ATOM 914 C GLU B 23 -10.431 -3.330 0.265 1.00 0.00 C ATOM 915 O GLU B 23 -11.634 -3.191 0.479 1.00 0.00 O ATOM 916 CB GLU B 23 -8.829 -3.315 2.189 1.00 0.00 C ATOM 917 CG GLU B 23 -7.933 -4.093 3.142 1.00 0.00 C ATOM 918 CD GLU B 23 -8.707 -5.001 4.077 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.073 -6.118 3.657 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.938 -4.596 5.235 1.00 0.00 O ATOM 0 H GLU B 23 -7.654 -4.660 0.480 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.215 -4.885 1.720 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.223 -2.588 1.648 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.560 -2.752 2.770 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.230 -4.692 2.563 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.344 -3.391 3.732 1.00 0.00 H new ATOM 927 N VAL B 24 -9.815 -2.763 -0.765 1.00 0.00 N ATOM 928 CA VAL B 24 -10.543 -1.931 -1.713 1.00 0.00 C ATOM 929 C VAL B 24 -11.484 -2.792 -2.546 1.00 0.00 C ATOM 930 O VAL B 24 -12.623 -2.412 -2.815 1.00 0.00 O ATOM 931 CB VAL B 24 -9.605 -1.158 -2.673 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.385 -0.126 -3.479 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.472 -0.489 -1.916 1.00 0.00 C ATOM 0 H VAL B 24 -8.820 -2.863 -0.964 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.100 -1.203 -1.124 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.171 -1.882 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.705 0.404 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.153 -0.628 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.856 0.585 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.831 0.045 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.884 0.214 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.886 -1.246 -1.394 1.00 0.00 H new ATOM 943 N ALA B 25 -11.003 -3.970 -2.931 1.00 0.00 N ATOM 944 CA ALA B 25 -11.760 -4.857 -3.808 1.00 0.00 C ATOM 945 C ALA B 25 -13.050 -5.338 -3.158 1.00 0.00 C ATOM 946 O ALA B 25 -14.092 -5.400 -3.813 1.00 0.00 O ATOM 947 CB ALA B 25 -10.912 -6.043 -4.234 1.00 0.00 C ATOM 0 H ALA B 25 -10.092 -4.333 -2.649 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.032 -4.279 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.496 -6.692 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.031 -5.687 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.600 -6.602 -3.352 1.00 0.00 H new ATOM 953 N ARG B 26 -12.991 -5.668 -1.871 1.00 0.00 N ATOM 954 CA ARG B 26 -14.164 -6.165 -1.176 1.00 0.00 C ATOM 955 C ARG B 26 -15.241 -5.093 -1.078 1.00 0.00 C ATOM 956 O ARG B 26 -16.415 -5.356 -1.315 1.00 0.00 O ATOM 957 CB ARG B 26 -13.812 -6.702 0.215 1.00 0.00 C ATOM 958 CG ARG B 26 -12.950 -5.792 1.079 1.00 0.00 C ATOM 959 CD ARG B 26 -12.797 -6.359 2.480 1.00 0.00 C ATOM 960 NE ARG B 26 -14.096 -6.624 3.101 1.00 0.00 N ATOM 961 CZ ARG B 26 -14.455 -6.203 4.312 1.00 0.00 C ATOM 962 NH1 ARG B 26 -13.631 -5.465 5.045 1.00 0.00 N ATOM 963 NH2 ARG B 26 -15.652 -6.513 4.785 1.00 0.00 N ATOM 0 H ARG B 26 -12.151 -5.600 -1.297 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.558 -6.994 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.739 -6.907 0.750 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.295 -7.654 0.096 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.968 -5.673 0.621 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.400 -4.800 1.131 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.219 -7.282 2.438 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.235 -5.658 3.097 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.774 -7.170 2.568 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.711 -5.214 4.682 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -13.917 -5.148 5.971 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -16.294 -7.072 4.222 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -15.933 -6.193 5.712 1.00 0.00 H new ATOM 977 N LEU B 27 -14.834 -3.883 -0.750 1.00 0.00 N ATOM 978 CA LEU B 27 -15.770 -2.775 -0.626 1.00 0.00 C ATOM 979 C LEU B 27 -16.316 -2.351 -1.981 1.00 0.00 C ATOM 980 O LEU B 27 -17.496 -2.038 -2.104 1.00 0.00 O ATOM 981 CB LEU B 27 -15.099 -1.594 0.048 1.00 0.00 C ATOM 982 CG LEU B 27 -14.567 -1.860 1.443 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.535 -0.820 1.810 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.705 -1.861 2.448 1.00 0.00 C ATOM 0 H LEU B 27 -13.861 -3.638 -0.564 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.606 -3.116 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.273 -1.259 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.813 -0.772 0.100 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.093 -2.841 1.460 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.159 -1.019 2.813 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.710 -0.859 1.099 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.991 0.170 1.783 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.309 -2.053 3.445 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.202 -0.891 2.435 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.421 -2.640 2.186 1.00 0.00 H new ATOM 996 N LYS B 28 -15.449 -2.334 -2.988 1.00 0.00 N ATOM 997 CA LYS B 28 -15.834 -1.944 -4.342 1.00 0.00 C ATOM 998 C LYS B 28 -17.094 -2.679 -4.801 1.00 0.00 C ATOM 999 O LYS B 28 -18.038 -2.057 -5.294 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.679 -2.212 -5.313 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.852 -1.552 -6.673 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.930 -0.037 -6.550 1.00 0.00 C ATOM 1003 CE LYS B 28 -14.952 0.642 -7.911 1.00 0.00 C ATOM 1004 NZ LYS B 28 -16.137 0.249 -8.719 1.00 0.00 N ATOM 0 H LYS B 28 -14.466 -2.588 -2.891 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.058 -0.877 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.751 -1.859 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.577 -3.288 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.017 -1.823 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.758 -1.927 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.826 0.236 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.076 0.325 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.950 1.723 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.043 0.388 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.154 0.800 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.083 -0.765 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -17.005 0.437 -8.177 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.128 -3.992 -4.609 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.265 -4.787 -5.035 1.00 0.00 C ATOM 1020 C LYS B 29 -19.449 -4.636 -4.080 1.00 0.00 C ATOM 1021 O LYS B 29 -20.594 -4.843 -4.473 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.876 -6.257 -5.158 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.362 -6.873 -3.871 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.029 -8.342 -4.056 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.516 -8.964 -2.769 1.00 0.00 C ATOM 1026 NZ LYS B 29 -16.159 -10.394 -2.950 1.00 0.00 N ATOM 0 H LYS B 29 -16.382 -4.524 -4.162 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.573 -4.417 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.743 -6.824 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.109 -6.355 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.474 -6.336 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.113 -6.764 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.917 -8.878 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.277 -8.450 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.642 -8.413 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.277 -8.875 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.813 -10.782 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.999 -10.925 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.414 -10.477 -3.671 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.175 -4.276 -2.833 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.237 -4.062 -1.850 1.00 0.00 C ATOM 1042 C LEU B 30 -20.947 -2.734 -2.098 1.00 0.00 C ATOM 1043 O LEU B 30 -22.140 -2.597 -1.832 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.681 -4.115 -0.424 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.803 -5.474 0.279 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -19.125 -6.574 -0.521 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.212 -5.401 1.677 1.00 0.00 C ATOM 0 H LEU B 30 -18.231 -4.126 -2.476 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.965 -4.866 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.629 -3.832 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.197 -3.366 0.177 1.00 0.00 H new ATOM 0 HG LEU B 30 -20.863 -5.717 0.354 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -19.230 -7.523 0.004 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.591 -6.650 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.067 -6.339 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.306 -6.372 2.163 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -18.159 -5.128 1.613 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.747 -4.651 2.259 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.207 -1.755 -2.602 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.796 -0.481 -2.990 1.00 0.00 C ATOM 1061 C VAL B 31 -21.483 -0.629 -4.345 1.00 0.00 C ATOM 1062 O VAL B 31 -22.405 0.118 -4.684 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.739 0.649 -3.065 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.389 1.989 -3.378 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.959 0.740 -1.764 1.00 0.00 C ATOM 0 H VAL B 31 -19.200 -1.819 -2.751 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.522 -0.204 -2.226 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.050 0.405 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.623 2.763 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.903 1.929 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.108 2.236 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.222 1.539 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.644 0.952 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.451 -0.206 -1.577 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.026 -1.606 -5.119 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.619 -1.870 -6.411 1.00 0.00 C ATOM 1077 C GLY B 32 -22.901 -2.662 -6.294 1.00 0.00 C ATOM 1078 O GLY B 32 -23.947 -2.241 -6.792 1.00 0.00 O ATOM 0 H GLY B 32 -20.251 -2.221 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.821 -0.926 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.909 -2.418 -7.031 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.823 -3.805 -5.632 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.985 -4.655 -5.435 1.00 0.00 C ATOM 1084 C GLU B 33 -24.369 -4.677 -3.961 1.00 0.00 C ATOM 1085 O GLU B 33 -23.814 -5.506 -3.214 1.00 0.00 O ATOM 1086 CB GLU B 33 -23.700 -6.076 -5.923 1.00 0.00 C ATOM 1087 CG GLU B 33 -23.293 -6.154 -7.385 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.085 -7.581 -7.852 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.046 -8.173 -7.502 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -23.961 -8.103 -8.572 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.221 -3.859 -3.554 1.00 0.00 O ATOM 0 H GLU B 33 -21.963 -4.166 -5.220 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.814 -4.250 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -22.907 -6.508 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -24.589 -6.688 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.060 -5.682 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -22.373 -5.588 -7.534 1.00 0.00 H new TER 1098 GLU B 33