USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 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: A 17 ASN : amide:sc= -6.82! C(o=-14!,f=-14!) USER MOD Set 1.2: B 17 ASN : amide:sc= -6.94! C(o=-14!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0428 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= -1.7! (180deg=-3.13!) USER MOD Single : A 5 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.5) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0461 (180deg=-0.274) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0045 X(o=-0.0045,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -111:sc= 0.0428 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 157:sc= -1.65! (180deg=-3.11!) USER MOD Single : B 5 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.4) USER MOD Single : B 9 LYS NZ :NH3+ -165:sc= -0.0525 (180deg=-0.29) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.0018 X(o=-0.0018,f=0) USER MOD Single : B 22 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.258 2.525 -3.180 1.00 0.00 N ATOM 2 CA GLY A 1 25.270 2.750 -4.261 1.00 0.00 C ATOM 3 C GLY A 1 23.955 2.057 -3.986 1.00 0.00 C ATOM 4 O GLY A 1 23.917 1.068 -3.250 1.00 0.00 O ATOM 0 H1 GLY A 1 26.433 3.419 -2.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.887 1.820 -2.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.148 2.178 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.098 3.820 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.678 2.389 -5.205 1.00 0.00 H new ATOM 10 N SER A 2 22.875 2.608 -4.543 1.00 0.00 N ATOM 11 CA SER A 2 21.535 2.004 -4.462 1.00 0.00 C ATOM 12 C SER A 2 20.946 2.189 -3.072 1.00 0.00 C ATOM 13 O SER A 2 19.931 1.592 -2.722 1.00 0.00 O ATOM 14 CB SER A 2 21.576 0.517 -4.837 1.00 0.00 C ATOM 15 OG SER A 2 22.099 0.339 -6.144 1.00 0.00 O ATOM 0 H SER A 2 22.900 3.485 -5.064 1.00 0.00 H new ATOM 0 HA SER A 2 20.893 2.515 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.189 -0.027 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.572 0.096 -4.782 1.00 0.00 H new ATOM 0 HG SER A 2 22.118 -0.616 -6.362 1.00 0.00 H new ATOM 21 N MET A 3 21.585 3.040 -2.292 1.00 0.00 N ATOM 22 CA MET A 3 21.124 3.345 -0.952 1.00 0.00 C ATOM 23 C MET A 3 19.969 4.336 -1.015 1.00 0.00 C ATOM 24 O MET A 3 18.895 4.097 -0.463 1.00 0.00 O ATOM 25 CB MET A 3 22.277 3.924 -0.137 1.00 0.00 C ATOM 26 CG MET A 3 21.896 4.307 1.286 1.00 0.00 C ATOM 27 SD MET A 3 21.411 2.880 2.280 1.00 0.00 S ATOM 28 CE MET A 3 20.977 3.672 3.827 1.00 0.00 C ATOM 0 H MET A 3 22.433 3.536 -2.567 1.00 0.00 H new ATOM 0 HA MET A 3 20.773 2.432 -0.471 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.086 3.195 -0.102 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.664 4.805 -0.649 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.739 4.808 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.074 5.023 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.656 2.917 4.545 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.845 4.201 4.221 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.166 4.380 3.658 1.00 0.00 H new ATOM 38 N LYS A 4 20.196 5.437 -1.716 1.00 0.00 N ATOM 39 CA LYS A 4 19.197 6.486 -1.850 1.00 0.00 C ATOM 40 C LYS A 4 17.997 5.993 -2.649 1.00 0.00 C ATOM 41 O LYS A 4 16.851 6.191 -2.249 1.00 0.00 O ATOM 42 CB LYS A 4 19.818 7.709 -2.531 1.00 0.00 C ATOM 43 CG LYS A 4 18.854 8.872 -2.717 1.00 0.00 C ATOM 44 CD LYS A 4 19.525 10.069 -3.381 1.00 0.00 C ATOM 45 CE LYS A 4 20.321 10.921 -2.393 1.00 0.00 C ATOM 46 NZ LYS A 4 21.467 10.192 -1.788 1.00 0.00 N ATOM 0 H LYS A 4 21.071 5.627 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 4 18.851 6.765 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.669 8.047 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.204 7.412 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.008 8.548 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.456 9.171 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.190 9.717 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.765 10.688 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.692 11.809 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.656 11.264 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.168 10.876 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.128 9.609 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.907 9.581 -2.505 1.00 0.00 H new ATOM 60 N GLN A 5 18.273 5.336 -3.770 1.00 0.00 N ATOM 61 CA GLN A 5 17.221 4.847 -4.659 1.00 0.00 C ATOM 62 C GLN A 5 16.282 3.893 -3.931 1.00 0.00 C ATOM 63 O GLN A 5 15.064 4.012 -4.038 1.00 0.00 O ATOM 64 CB GLN A 5 17.814 4.147 -5.886 1.00 0.00 C ATOM 65 CG GLN A 5 18.485 5.082 -6.882 1.00 0.00 C ATOM 66 CD GLN A 5 19.797 5.649 -6.381 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.836 6.712 -5.760 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.880 4.937 -6.637 1.00 0.00 N ATOM 0 H GLN A 5 19.220 5.128 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 5 16.652 5.716 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.543 3.409 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.020 3.601 -6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.662 4.544 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.807 5.903 -7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.804 4.061 -7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.792 5.263 -6.317 1.00 0.00 H new ATOM 77 N LEU A 6 16.851 2.959 -3.183 1.00 0.00 N ATOM 78 CA LEU A 6 16.056 1.982 -2.451 1.00 0.00 C ATOM 79 C LEU A 6 15.285 2.641 -1.312 1.00 0.00 C ATOM 80 O LEU A 6 14.171 2.227 -0.986 1.00 0.00 O ATOM 81 CB LEU A 6 16.941 0.856 -1.920 1.00 0.00 C ATOM 82 CG LEU A 6 17.111 -0.353 -2.852 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.603 0.072 -4.227 1.00 0.00 C ATOM 84 CD2 LEU A 6 18.068 -1.360 -2.238 1.00 0.00 C ATOM 0 H LEU A 6 17.859 2.856 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 6 15.331 1.554 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.927 1.266 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.526 0.507 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 6 16.134 -0.821 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.713 -0.807 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.883 0.756 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.567 0.572 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.179 -2.212 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 6 19.040 -0.891 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.673 -1.701 -1.281 1.00 0.00 H new ATOM 96 N GLU A 7 15.877 3.672 -0.712 1.00 0.00 N ATOM 97 CA GLU A 7 15.187 4.457 0.304 1.00 0.00 C ATOM 98 C GLU A 7 13.994 5.179 -0.303 1.00 0.00 C ATOM 99 O GLU A 7 12.940 5.294 0.321 1.00 0.00 O ATOM 100 CB GLU A 7 16.137 5.464 0.955 1.00 0.00 C ATOM 101 CG GLU A 7 17.037 4.855 2.014 1.00 0.00 C ATOM 102 CD GLU A 7 16.251 4.331 3.198 1.00 0.00 C ATOM 103 OE1 GLU A 7 15.904 3.131 3.200 1.00 0.00 O ATOM 104 OE2 GLU A 7 15.977 5.124 4.121 1.00 0.00 O ATOM 0 H GLU A 7 16.828 3.981 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 7 14.831 3.774 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.756 5.919 0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.551 6.265 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.614 4.042 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.751 5.604 2.356 1.00 0.00 H new ATOM 111 N ASP A 8 14.165 5.658 -1.526 1.00 0.00 N ATOM 112 CA ASP A 8 13.081 6.313 -2.239 1.00 0.00 C ATOM 113 C ASP A 8 12.001 5.308 -2.609 1.00 0.00 C ATOM 114 O ASP A 8 10.821 5.627 -2.571 1.00 0.00 O ATOM 115 CB ASP A 8 13.588 7.022 -3.495 1.00 0.00 C ATOM 116 CG ASP A 8 14.243 8.353 -3.189 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.510 9.350 -3.025 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.487 8.403 -3.117 1.00 0.00 O ATOM 0 H ASP A 8 15.042 5.605 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 8 12.655 7.064 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.303 6.379 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.755 7.180 -4.180 1.00 0.00 H new ATOM 123 N LYS A 9 12.413 4.094 -2.956 1.00 0.00 N ATOM 124 CA LYS A 9 11.473 3.039 -3.327 1.00 0.00 C ATOM 125 C LYS A 9 10.501 2.735 -2.193 1.00 0.00 C ATOM 126 O LYS A 9 9.293 2.910 -2.345 1.00 0.00 O ATOM 127 CB LYS A 9 12.216 1.763 -3.731 1.00 0.00 C ATOM 128 CG LYS A 9 12.934 1.873 -5.064 1.00 0.00 C ATOM 129 CD LYS A 9 13.613 0.565 -5.439 1.00 0.00 C ATOM 130 CE LYS A 9 14.233 0.637 -6.827 1.00 0.00 C ATOM 131 NZ LYS A 9 13.206 0.831 -7.885 1.00 0.00 N ATOM 0 H LYS A 9 13.393 3.814 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 9 10.901 3.401 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.942 1.515 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.505 0.938 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.221 2.150 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.677 2.669 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.385 0.331 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.886 -0.246 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.950 1.458 -6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.788 -0.280 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.622 0.623 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.405 0.190 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.871 1.816 -7.868 1.00 0.00 H new ATOM 145 N VAL A 10 11.028 2.297 -1.052 1.00 0.00 N ATOM 146 CA VAL A 10 10.185 1.960 0.093 1.00 0.00 C ATOM 147 C VAL A 10 9.317 3.153 0.499 1.00 0.00 C ATOM 148 O VAL A 10 8.137 2.994 0.812 1.00 0.00 O ATOM 149 CB VAL A 10 11.022 1.467 1.301 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.074 2.487 1.711 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.120 1.128 2.479 1.00 0.00 C ATOM 0 H VAL A 10 12.028 2.168 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 10 9.535 1.141 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 10 11.543 0.562 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.640 2.105 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.751 2.667 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.586 3.421 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.728 0.784 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.562 2.015 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.423 0.341 2.189 1.00 0.00 H new ATOM 161 N GLU A 11 9.899 4.347 0.448 1.00 0.00 N ATOM 162 CA GLU A 11 9.182 5.572 0.779 1.00 0.00 C ATOM 163 C GLU A 11 8.027 5.801 -0.194 1.00 0.00 C ATOM 164 O GLU A 11 6.890 6.040 0.217 1.00 0.00 O ATOM 165 CB GLU A 11 10.144 6.760 0.740 1.00 0.00 C ATOM 166 CG GLU A 11 9.496 8.087 1.087 1.00 0.00 C ATOM 167 CD GLU A 11 10.467 9.245 0.992 1.00 0.00 C ATOM 168 OE1 GLU A 11 11.132 9.542 2.004 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.565 9.848 -0.096 1.00 0.00 O ATOM 0 H GLU A 11 10.872 4.492 0.179 1.00 0.00 H new ATOM 0 HA GLU A 11 8.770 5.475 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.963 6.574 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.580 6.829 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.656 8.265 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.091 8.037 2.098 1.00 0.00 H new ATOM 176 N GLU A 12 8.330 5.731 -1.483 1.00 0.00 N ATOM 177 CA GLU A 12 7.318 5.916 -2.520 1.00 0.00 C ATOM 178 C GLU A 12 6.206 4.871 -2.433 1.00 0.00 C ATOM 179 O GLU A 12 5.027 5.211 -2.513 1.00 0.00 O ATOM 180 CB GLU A 12 7.951 5.879 -3.912 1.00 0.00 C ATOM 181 CG GLU A 12 8.819 7.087 -4.216 1.00 0.00 C ATOM 182 CD GLU A 12 9.473 7.001 -5.579 1.00 0.00 C ATOM 183 OE1 GLU A 12 10.591 6.449 -5.663 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.871 7.482 -6.560 1.00 0.00 O ATOM 0 H GLU A 12 9.268 5.547 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 12 6.873 6.897 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.554 4.976 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.161 5.812 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.211 7.990 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.590 7.178 -3.451 1.00 0.00 H new ATOM 191 N LEU A 13 6.562 3.601 -2.287 1.00 0.00 N ATOM 192 CA LEU A 13 5.553 2.557 -2.260 1.00 0.00 C ATOM 193 C LEU A 13 4.754 2.505 -0.958 1.00 0.00 C ATOM 194 O LEU A 13 3.707 1.858 -0.910 1.00 0.00 O ATOM 195 CB LEU A 13 6.159 1.202 -2.595 1.00 0.00 C ATOM 196 CG LEU A 13 6.369 0.993 -4.092 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.661 1.640 -4.565 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.351 -0.482 -4.440 1.00 0.00 C ATOM 0 H LEU A 13 7.524 3.276 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 13 4.832 2.817 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.116 1.102 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.509 0.415 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 13 5.542 1.478 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.781 1.473 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.625 2.711 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.504 1.200 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.503 -0.605 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.148 -0.993 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.389 -0.911 -4.158 1.00 0.00 H new ATOM 210 N LEU A 14 5.208 3.171 0.099 1.00 0.00 N ATOM 211 CA LEU A 14 4.357 3.318 1.271 1.00 0.00 C ATOM 212 C LEU A 14 3.495 4.563 1.127 1.00 0.00 C ATOM 213 O LEU A 14 2.484 4.716 1.811 1.00 0.00 O ATOM 214 CB LEU A 14 5.153 3.311 2.584 1.00 0.00 C ATOM 215 CG LEU A 14 6.206 4.402 2.789 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.576 5.704 3.267 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.241 3.914 3.785 1.00 0.00 C ATOM 0 H LEU A 14 6.129 3.604 0.168 1.00 0.00 H new ATOM 0 HA LEU A 14 3.703 2.448 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.441 3.375 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.651 2.345 2.668 1.00 0.00 H new ATOM 0 HG LEU A 14 6.686 4.608 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.353 6.456 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.857 6.054 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.066 5.535 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.994 4.687 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.755 3.691 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.718 3.012 3.401 1.00 0.00 H new ATOM 229 N SER A 15 3.897 5.437 0.215 1.00 0.00 N ATOM 230 CA SER A 15 3.092 6.576 -0.166 1.00 0.00 C ATOM 231 C SER A 15 1.853 6.101 -0.918 1.00 0.00 C ATOM 232 O SER A 15 0.738 6.545 -0.629 1.00 0.00 O ATOM 233 CB SER A 15 3.910 7.547 -1.025 1.00 0.00 C ATOM 234 OG SER A 15 3.114 8.620 -1.499 1.00 0.00 O ATOM 0 H SER A 15 4.788 5.372 -0.277 1.00 0.00 H new ATOM 0 HA SER A 15 2.776 7.106 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.741 7.940 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.341 7.011 -1.871 1.00 0.00 H new ATOM 0 HG SER A 15 3.665 9.222 -2.042 1.00 0.00 H new ATOM 240 N LYS A 16 2.030 5.181 -1.877 1.00 0.00 N ATOM 241 CA LYS A 16 0.874 4.632 -2.580 1.00 0.00 C ATOM 242 C LYS A 16 -0.022 3.808 -1.635 1.00 0.00 C ATOM 243 O LYS A 16 -1.204 3.615 -1.920 1.00 0.00 O ATOM 244 CB LYS A 16 1.296 3.814 -3.822 1.00 0.00 C ATOM 245 CG LYS A 16 1.990 2.491 -3.531 1.00 0.00 C ATOM 246 CD LYS A 16 2.362 1.790 -4.832 1.00 0.00 C ATOM 247 CE LYS A 16 2.866 0.371 -4.608 1.00 0.00 C ATOM 248 NZ LYS A 16 3.012 -0.363 -5.891 1.00 0.00 N ATOM 0 H LYS A 16 2.934 4.814 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 16 0.282 5.475 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.409 3.614 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.961 4.427 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.886 2.666 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.335 1.851 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.492 1.763 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.131 2.368 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.827 0.402 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.173 -0.164 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.357 -1.326 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.090 -0.413 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.692 0.135 -6.501 1.00 0.00 H new ATOM 262 N ASN A 17 0.523 3.362 -0.496 1.00 0.00 N ATOM 263 CA ASN A 17 -0.280 2.677 0.523 1.00 0.00 C ATOM 264 C ASN A 17 -1.315 3.618 1.120 1.00 0.00 C ATOM 265 O ASN A 17 -2.441 3.216 1.407 1.00 0.00 O ATOM 266 CB ASN A 17 0.588 2.128 1.660 1.00 0.00 C ATOM 267 CG ASN A 17 1.002 0.687 1.453 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.262 -0.233 1.787 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.199 0.478 0.940 1.00 0.00 N ATOM 0 H ASN A 17 1.510 3.462 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.775 1.846 0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.481 2.745 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.040 2.210 2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.538 -0.475 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.785 1.269 0.674 1.00 0.00 H new ATOM 276 N TYR A 18 -0.925 4.871 1.320 1.00 0.00 N ATOM 277 CA TYR A 18 -1.829 5.867 1.877 1.00 0.00 C ATOM 278 C TYR A 18 -2.971 6.128 0.910 1.00 0.00 C ATOM 279 O TYR A 18 -4.130 6.204 1.308 1.00 0.00 O ATOM 280 CB TYR A 18 -1.092 7.174 2.184 1.00 0.00 C ATOM 281 CG TYR A 18 0.018 7.027 3.201 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.305 7.457 2.915 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.219 6.447 4.439 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.326 7.317 3.837 1.00 0.00 C ATOM 285 CE2 TYR A 18 0.793 6.305 5.367 1.00 0.00 C ATOM 286 CZ TYR A 18 2.065 6.740 5.060 1.00 0.00 C ATOM 287 OH TYR A 18 3.080 6.596 5.978 1.00 0.00 O ATOM 0 H TYR A 18 0.009 5.220 1.105 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.229 5.477 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.674 7.570 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.811 7.908 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.513 7.909 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.213 6.100 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.323 7.658 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.590 5.856 6.328 1.00 0.00 H new ATOM 0 HH TYR A 18 2.730 6.172 6.789 1.00 0.00 H new ATOM 297 N HIS A 19 -2.634 6.232 -0.370 1.00 0.00 N ATOM 298 CA HIS A 19 -3.637 6.448 -1.406 1.00 0.00 C ATOM 299 C HIS A 19 -4.561 5.242 -1.504 1.00 0.00 C ATOM 300 O HIS A 19 -5.768 5.387 -1.697 1.00 0.00 O ATOM 301 CB HIS A 19 -2.973 6.732 -2.756 1.00 0.00 C ATOM 302 CG HIS A 19 -2.233 8.034 -2.790 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.976 8.176 -3.336 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.584 9.262 -2.338 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.586 9.432 -3.216 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.543 10.108 -2.615 1.00 0.00 N ATOM 0 H HIS A 19 -1.676 6.170 -0.715 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.232 7.320 -1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.281 5.923 -2.990 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.736 6.735 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.511 9.525 -1.850 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.357 9.836 -3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.514 11.103 -2.391 1.00 0.00 H new ATOM 315 N LEU A 20 -3.988 4.055 -1.357 1.00 0.00 N ATOM 316 CA LEU A 20 -4.767 2.826 -1.306 1.00 0.00 C ATOM 317 C LEU A 20 -5.710 2.842 -0.107 1.00 0.00 C ATOM 318 O LEU A 20 -6.882 2.482 -0.221 1.00 0.00 O ATOM 319 CB LEU A 20 -3.838 1.609 -1.233 1.00 0.00 C ATOM 320 CG LEU A 20 -3.794 0.728 -2.488 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.137 0.060 -2.719 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.397 1.541 -3.711 1.00 0.00 C ATOM 0 H LEU A 20 -2.981 3.917 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.363 2.757 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.828 1.959 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.145 0.991 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.041 -0.044 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.086 -0.561 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.386 -0.562 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.905 0.822 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.373 0.893 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.123 2.338 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.410 1.975 -3.554 1.00 0.00 H new ATOM 334 N GLU A 21 -5.200 3.283 1.039 1.00 0.00 N ATOM 335 CA GLU A 21 -6.001 3.366 2.254 1.00 0.00 C ATOM 336 C GLU A 21 -7.119 4.390 2.080 1.00 0.00 C ATOM 337 O GLU A 21 -8.228 4.204 2.576 1.00 0.00 O ATOM 338 CB GLU A 21 -5.110 3.725 3.450 1.00 0.00 C ATOM 339 CG GLU A 21 -5.761 3.494 4.808 1.00 0.00 C ATOM 340 CD GLU A 21 -6.590 4.669 5.295 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.995 5.707 5.645 1.00 0.00 O ATOM 342 OE2 GLU A 21 -7.832 4.543 5.342 1.00 0.00 O ATOM 0 H GLU A 21 -4.233 3.589 1.151 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.457 2.395 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.194 3.137 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.822 4.773 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.397 2.611 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.984 3.280 5.542 1.00 0.00 H new ATOM 349 N ASN A 22 -6.819 5.465 1.361 1.00 0.00 N ATOM 350 CA ASN A 22 -7.819 6.485 1.042 1.00 0.00 C ATOM 351 C ASN A 22 -8.961 5.886 0.223 1.00 0.00 C ATOM 352 O ASN A 22 -10.092 6.368 0.268 1.00 0.00 O ATOM 353 CB ASN A 22 -7.192 7.659 0.276 1.00 0.00 C ATOM 354 CG ASN A 22 -6.481 8.659 1.176 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.920 8.189 2.278 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -6.434 9.853 0.875 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.890 5.656 0.986 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.216 6.860 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.482 7.269 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.972 8.176 -0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.878 10.181 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.951 10.514 1.484 1.00 0.00 H new ATOM 363 N GLU A 23 -8.659 4.830 -0.522 1.00 0.00 N ATOM 364 CA GLU A 23 -9.671 4.140 -1.307 1.00 0.00 C ATOM 365 C GLU A 23 -10.513 3.249 -0.405 1.00 0.00 C ATOM 366 O GLU A 23 -11.733 3.181 -0.547 1.00 0.00 O ATOM 367 CB GLU A 23 -9.023 3.302 -2.411 1.00 0.00 C ATOM 368 CG GLU A 23 -8.243 4.120 -3.425 1.00 0.00 C ATOM 369 CD GLU A 23 -7.607 3.256 -4.498 1.00 0.00 C ATOM 370 OE1 GLU A 23 -6.425 2.888 -4.340 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.292 2.948 -5.494 1.00 0.00 O ATOM 0 H GLU A 23 -7.722 4.434 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.313 4.887 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.354 2.573 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.799 2.741 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.909 4.845 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.467 4.687 -2.911 1.00 0.00 H new ATOM 378 N VAL A 24 -9.857 2.584 0.539 1.00 0.00 N ATOM 379 CA VAL A 24 -10.548 1.690 1.458 1.00 0.00 C ATOM 380 C VAL A 24 -11.459 2.481 2.395 1.00 0.00 C ATOM 381 O VAL A 24 -12.540 2.024 2.771 1.00 0.00 O ATOM 382 CB VAL A 24 -9.562 0.838 2.295 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.308 -0.187 3.139 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.555 0.145 1.397 1.00 0.00 C ATOM 0 H VAL A 24 -8.850 2.647 0.687 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.147 1.013 0.849 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.026 1.510 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.593 -0.772 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.989 0.327 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.877 -0.850 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.872 -0.448 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.079 -0.508 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.989 0.892 0.840 1.00 0.00 H new ATOM 394 N ALA A 25 -11.024 3.678 2.757 1.00 0.00 N ATOM 395 CA ALA A 25 -11.794 4.522 3.656 1.00 0.00 C ATOM 396 C ALA A 25 -13.021 5.103 2.961 1.00 0.00 C ATOM 397 O ALA A 25 -14.087 5.220 3.567 1.00 0.00 O ATOM 398 CB ALA A 25 -10.924 5.635 4.214 1.00 0.00 C ATOM 0 H ALA A 25 -10.144 4.086 2.443 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.142 3.900 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.516 6.258 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.088 5.202 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.543 6.245 3.395 1.00 0.00 H new ATOM 404 N ARG A 26 -12.873 5.453 1.687 1.00 0.00 N ATOM 405 CA ARG A 26 -13.951 6.095 0.941 1.00 0.00 C ATOM 406 C ARG A 26 -15.096 5.118 0.703 1.00 0.00 C ATOM 407 O ARG A 26 -16.268 5.460 0.857 1.00 0.00 O ATOM 408 CB ARG A 26 -13.419 6.662 -0.386 1.00 0.00 C ATOM 409 CG ARG A 26 -13.248 5.652 -1.517 1.00 0.00 C ATOM 410 CD ARG A 26 -12.641 6.299 -2.752 1.00 0.00 C ATOM 411 NE ARG A 26 -11.366 6.954 -2.465 1.00 0.00 N ATOM 412 CZ ARG A 26 -10.449 7.239 -3.388 1.00 0.00 C ATOM 413 NH1 ARG A 26 -10.634 6.874 -4.650 1.00 0.00 N ATOM 414 NH2 ARG A 26 -9.343 7.887 -3.047 1.00 0.00 N ATOM 0 H ARG A 26 -12.019 5.303 1.150 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.339 6.924 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.098 7.445 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.455 7.135 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.610 4.834 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.216 5.219 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.492 5.541 -3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.340 7.031 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.166 7.209 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.481 6.373 -4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.929 7.095 -5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.194 8.167 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.641 8.105 -3.754 1.00 0.00 H new ATOM 428 N LEU A 27 -14.737 3.897 0.353 1.00 0.00 N ATOM 429 CA LEU A 27 -15.714 2.842 0.101 1.00 0.00 C ATOM 430 C LEU A 27 -16.471 2.474 1.360 1.00 0.00 C ATOM 431 O LEU A 27 -17.675 2.236 1.318 1.00 0.00 O ATOM 432 CB LEU A 27 -15.028 1.609 -0.452 1.00 0.00 C ATOM 433 CG LEU A 27 -14.609 1.708 -1.908 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.547 0.685 -2.207 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.805 1.523 -2.828 1.00 0.00 C ATOM 0 H LEU A 27 -13.767 3.605 0.235 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.426 3.224 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.144 1.401 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.698 0.757 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.200 2.702 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.252 0.762 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.680 0.864 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.939 -0.314 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.481 1.598 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.248 0.542 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.545 2.296 -2.622 1.00 0.00 H new ATOM 447 N LYS A 28 -15.749 2.409 2.468 1.00 0.00 N ATOM 448 CA LYS A 28 -16.352 2.145 3.773 1.00 0.00 C ATOM 449 C LYS A 28 -17.575 3.043 4.007 1.00 0.00 C ATOM 450 O LYS A 28 -18.607 2.585 4.499 1.00 0.00 O ATOM 451 CB LYS A 28 -15.310 2.350 4.877 1.00 0.00 C ATOM 452 CG LYS A 28 -15.835 2.096 6.281 1.00 0.00 C ATOM 453 CD LYS A 28 -16.370 0.681 6.442 1.00 0.00 C ATOM 454 CE LYS A 28 -16.931 0.464 7.839 1.00 0.00 C ATOM 455 NZ LYS A 28 -17.568 -0.869 7.986 1.00 0.00 N ATOM 0 H LYS A 28 -14.737 2.536 2.493 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.693 1.110 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.465 1.687 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.933 3.371 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.036 2.266 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.626 2.811 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.148 0.497 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.572 -0.037 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.129 0.564 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.663 1.241 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.936 -0.973 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.350 -0.957 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.864 -1.612 7.802 1.00 0.00 H new ATOM 469 N LYS A 29 -17.462 4.310 3.621 1.00 0.00 N ATOM 470 CA LYS A 29 -18.564 5.253 3.752 1.00 0.00 C ATOM 471 C LYS A 29 -19.693 4.909 2.785 1.00 0.00 C ATOM 472 O LYS A 29 -20.869 4.972 3.143 1.00 0.00 O ATOM 473 CB LYS A 29 -18.087 6.688 3.500 1.00 0.00 C ATOM 474 CG LYS A 29 -17.476 7.378 4.714 1.00 0.00 C ATOM 475 CD LYS A 29 -16.262 6.637 5.245 1.00 0.00 C ATOM 476 CE LYS A 29 -15.642 7.355 6.430 1.00 0.00 C ATOM 477 NZ LYS A 29 -14.461 6.625 6.960 1.00 0.00 N ATOM 0 H LYS A 29 -16.615 4.707 3.214 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.941 5.181 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.350 6.676 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.932 7.281 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.190 8.395 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.226 7.455 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.551 5.629 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.521 6.536 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.344 8.360 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.386 7.464 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.065 7.146 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.750 5.675 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.740 6.543 6.215 1.00 0.00 H new ATOM 491 N LEU A 30 -19.321 4.533 1.566 1.00 0.00 N ATOM 492 CA LEU A 30 -20.286 4.180 0.524 1.00 0.00 C ATOM 493 C LEU A 30 -21.114 2.959 0.921 1.00 0.00 C ATOM 494 O LEU A 30 -22.298 2.868 0.586 1.00 0.00 O ATOM 495 CB LEU A 30 -19.561 3.901 -0.798 1.00 0.00 C ATOM 496 CG LEU A 30 -19.365 5.098 -1.744 1.00 0.00 C ATOM 497 CD1 LEU A 30 -20.697 5.563 -2.316 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.664 6.247 -1.035 1.00 0.00 C ATOM 0 H LEU A 30 -18.347 4.464 1.271 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.961 5.026 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.580 3.486 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.115 3.131 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.732 4.768 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.531 6.410 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.158 4.748 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.357 5.864 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.539 7.079 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.264 6.570 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.686 5.916 -0.685 1.00 0.00 H new ATOM 510 N VAL A 31 -20.490 2.025 1.628 1.00 0.00 N ATOM 511 CA VAL A 31 -21.175 0.816 2.072 1.00 0.00 C ATOM 512 C VAL A 31 -22.197 1.142 3.162 1.00 0.00 C ATOM 513 O VAL A 31 -23.223 0.471 3.287 1.00 0.00 O ATOM 514 CB VAL A 31 -20.176 -0.254 2.580 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.900 -1.523 3.009 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.151 -0.571 1.507 1.00 0.00 C ATOM 0 H VAL A 31 -19.510 2.081 1.907 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.698 0.404 1.209 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.662 0.153 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.173 -2.255 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.598 -1.290 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.448 -1.934 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.456 -1.324 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.658 -0.951 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.601 0.334 1.250 1.00 0.00 H new ATOM 526 N GLY A 32 -21.930 2.193 3.927 1.00 0.00 N ATOM 527 CA GLY A 32 -22.850 2.584 4.974 1.00 0.00 C ATOM 528 C GLY A 32 -22.152 3.199 6.169 1.00 0.00 C ATOM 529 O GLY A 32 -22.477 2.869 7.310 1.00 0.00 O ATOM 0 H GLY A 32 -21.098 2.777 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -23.569 3.298 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -23.416 1.711 5.299 1.00 0.00 H new ATOM 533 N GLU A 33 -21.203 4.094 5.902 1.00 0.00 N ATOM 534 CA GLU A 33 -20.461 4.795 6.952 1.00 0.00 C ATOM 535 C GLU A 33 -19.673 3.801 7.806 1.00 0.00 C ATOM 536 O GLU A 33 -20.173 3.388 8.873 1.00 0.00 O ATOM 537 CB GLU A 33 -21.419 5.630 7.820 1.00 0.00 C ATOM 538 CG GLU A 33 -20.750 6.740 8.627 1.00 0.00 C ATOM 539 CD GLU A 33 -19.909 6.232 9.783 1.00 0.00 C ATOM 540 OE1 GLU A 33 -20.490 5.891 10.835 1.00 0.00 O ATOM 541 OE2 GLU A 33 -18.670 6.182 9.638 1.00 0.00 O ATOM 542 OXT GLU A 33 -18.553 3.439 7.410 1.00 0.00 O ATOM 0 H GLU A 33 -20.926 4.354 4.955 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.750 5.474 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.176 6.075 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.938 4.963 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -20.119 7.330 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.518 7.409 9.015 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 26.275 -2.734 2.469 1.00 0.00 N ATOM 551 CA GLY B 1 25.294 -2.957 3.556 1.00 0.00 C ATOM 552 C GLY B 1 23.980 -2.252 3.291 1.00 0.00 C ATOM 553 O GLY B 1 23.946 -1.256 2.566 1.00 0.00 O ATOM 0 H1 GLY B 1 26.428 -3.623 1.952 1.00 0.00 H new ATOM 0 H2 GLY B 1 25.911 -2.011 1.816 1.00 0.00 H new ATOM 0 H3 GLY B 1 27.176 -2.411 2.875 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.115 -4.026 3.668 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.711 -2.603 4.499 1.00 0.00 H new ATOM 559 N SER B 2 22.898 -2.804 3.847 1.00 0.00 N ATOM 560 CA SER B 2 21.559 -2.198 3.771 1.00 0.00 C ATOM 561 C SER B 2 20.965 -2.379 2.380 1.00 0.00 C ATOM 562 O SER B 2 19.954 -1.776 2.032 1.00 0.00 O ATOM 563 CB SER B 2 21.605 -0.712 4.148 1.00 0.00 C ATOM 564 OG SER B 2 22.125 -0.537 5.457 1.00 0.00 O ATOM 0 H SER B 2 22.922 -3.683 4.363 1.00 0.00 H new ATOM 0 HA SER B 2 20.918 -2.709 4.489 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.222 -0.170 3.432 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.603 -0.287 4.091 1.00 0.00 H new ATOM 0 HG SER B 2 22.147 0.418 5.675 1.00 0.00 H new ATOM 570 N MET B 3 21.594 -3.235 1.601 1.00 0.00 N ATOM 571 CA MET B 3 21.126 -3.542 0.263 1.00 0.00 C ATOM 572 C MET B 3 19.967 -4.528 0.334 1.00 0.00 C ATOM 573 O MET B 3 18.889 -4.282 -0.206 1.00 0.00 O ATOM 574 CB MET B 3 22.278 -4.125 -0.555 1.00 0.00 C ATOM 575 CG MET B 3 21.892 -4.507 -1.976 1.00 0.00 C ATOM 576 SD MET B 3 21.423 -3.078 -2.973 1.00 0.00 S ATOM 577 CE MET B 3 20.960 -3.874 -4.508 1.00 0.00 C ATOM 0 H MET B 3 22.440 -3.736 1.875 1.00 0.00 H new ATOM 0 HA MET B 3 20.774 -2.631 -0.221 1.00 0.00 H new ATOM 0 HB2 MET B 3 23.089 -3.398 -0.592 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.664 -5.007 -0.044 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.729 -5.019 -2.451 1.00 0.00 H new ATOM 0 HG3 MET B 3 21.062 -5.213 -1.946 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.645 -3.119 -5.229 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.814 -4.422 -4.906 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.138 -4.566 -4.325 1.00 0.00 H new ATOM 587 N LYS B 4 20.197 -5.633 1.032 1.00 0.00 N ATOM 588 CA LYS B 4 19.198 -6.680 1.176 1.00 0.00 C ATOM 589 C LYS B 4 18.003 -6.181 1.983 1.00 0.00 C ATOM 590 O LYS B 4 16.854 -6.380 1.593 1.00 0.00 O ATOM 591 CB LYS B 4 19.820 -7.901 1.858 1.00 0.00 C ATOM 592 CG LYS B 4 18.854 -9.062 2.049 1.00 0.00 C ATOM 593 CD LYS B 4 19.523 -10.260 2.711 1.00 0.00 C ATOM 594 CE LYS B 4 20.312 -11.115 1.721 1.00 0.00 C ATOM 595 NZ LYS B 4 21.459 -10.389 1.111 1.00 0.00 N ATOM 0 H LYS B 4 21.076 -5.827 1.511 1.00 0.00 H new ATOM 0 HA LYS B 4 18.846 -6.963 0.184 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.669 -8.242 1.266 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.209 -7.602 2.831 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.011 -8.735 2.658 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.451 -9.361 1.081 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.193 -9.909 3.496 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.763 -10.876 3.192 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.682 -12.004 2.232 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.643 -11.456 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.165 -11.075 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.122 -9.818 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.893 -9.766 1.822 1.00 0.00 H new ATOM 609 N GLN B 5 18.289 -5.520 3.099 1.00 0.00 N ATOM 610 CA GLN B 5 17.243 -5.028 3.990 1.00 0.00 C ATOM 611 C GLN B 5 16.304 -4.073 3.266 1.00 0.00 C ATOM 612 O GLN B 5 15.085 -4.188 3.379 1.00 0.00 O ATOM 613 CB GLN B 5 17.842 -4.330 5.216 1.00 0.00 C ATOM 614 CG GLN B 5 18.514 -5.267 6.212 1.00 0.00 C ATOM 615 CD GLN B 5 19.819 -5.845 5.703 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.847 -6.911 5.089 1.00 0.00 O ATOM 617 NE2 GLN B 5 20.908 -5.140 5.952 1.00 0.00 N ATOM 0 H GLN B 5 19.238 -5.312 3.409 1.00 0.00 H new ATOM 0 HA GLN B 5 16.672 -5.895 4.323 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.572 -3.595 4.879 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.051 -3.782 5.729 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.701 -4.726 7.140 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.832 -6.083 6.451 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.840 -4.261 6.465 1.00 0.00 H new ATOM 0 HE22 GLN B 5 21.817 -5.475 5.632 1.00 0.00 H new ATOM 626 N LEU B 6 16.872 -3.142 2.514 1.00 0.00 N ATOM 627 CA LEU B 6 16.074 -2.166 1.785 1.00 0.00 C ATOM 628 C LEU B 6 15.296 -2.825 0.648 1.00 0.00 C ATOM 629 O LEU B 6 14.180 -2.410 0.329 1.00 0.00 O ATOM 630 CB LEU B 6 16.958 -1.043 1.249 1.00 0.00 C ATOM 631 CG LEU B 6 17.132 0.167 2.178 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.630 -0.255 3.553 1.00 0.00 C ATOM 633 CD2 LEU B 6 18.090 1.173 1.559 1.00 0.00 C ATOM 0 H LEU B 6 17.880 -3.041 2.392 1.00 0.00 H new ATOM 0 HA LEU B 6 15.352 -1.738 2.481 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.943 -1.454 1.029 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.540 -0.696 0.304 1.00 0.00 H new ATOM 0 HG LEU B 6 16.155 0.634 2.304 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.742 0.626 4.185 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.912 -0.938 4.006 1.00 0.00 H new ATOM 0 HD13 LEU B 6 18.593 -0.755 3.453 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.204 2.026 2.228 1.00 0.00 H new ATOM 0 HD22 LEU B 6 19.061 0.702 1.402 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.693 1.513 0.603 1.00 0.00 H new ATOM 645 N GLU B 7 15.881 -3.857 0.047 1.00 0.00 N ATOM 646 CA GLU B 7 15.184 -4.641 -0.965 1.00 0.00 C ATOM 647 C GLU B 7 13.994 -5.362 -0.349 1.00 0.00 C ATOM 648 O GLU B 7 12.937 -5.473 -0.965 1.00 0.00 O ATOM 649 CB GLU B 7 16.128 -5.653 -1.619 1.00 0.00 C ATOM 650 CG GLU B 7 17.028 -5.046 -2.680 1.00 0.00 C ATOM 651 CD GLU B 7 16.245 -4.520 -3.869 1.00 0.00 C ATOM 652 OE1 GLU B 7 15.889 -3.324 -3.864 1.00 0.00 O ATOM 653 OE2 GLU B 7 15.982 -5.308 -4.800 1.00 0.00 O ATOM 0 H GLU B 7 16.832 -4.168 0.243 1.00 0.00 H new ATOM 0 HA GLU B 7 14.826 -3.957 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.747 -6.111 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.537 -6.451 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.606 -4.233 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.741 -5.797 -3.021 1.00 0.00 H new ATOM 660 N ASP B 8 14.171 -5.841 0.875 1.00 0.00 N ATOM 661 CA ASP B 8 13.087 -6.492 1.594 1.00 0.00 C ATOM 662 C ASP B 8 12.011 -5.483 1.962 1.00 0.00 C ATOM 663 O ASP B 8 10.830 -5.799 1.917 1.00 0.00 O ATOM 664 CB ASP B 8 13.595 -7.199 2.852 1.00 0.00 C ATOM 665 CG ASP B 8 14.246 -8.536 2.549 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.508 -9.532 2.398 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.488 -8.589 2.466 1.00 0.00 O ATOM 0 H ASP B 8 15.051 -5.791 1.388 1.00 0.00 H new ATOM 0 HA ASP B 8 12.658 -7.245 0.933 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.314 -6.556 3.360 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.763 -7.352 3.539 1.00 0.00 H new ATOM 672 N LYS B 9 12.426 -4.269 2.308 1.00 0.00 N ATOM 673 CA LYS B 9 11.489 -3.212 2.681 1.00 0.00 C ATOM 674 C LYS B 9 10.512 -2.908 1.550 1.00 0.00 C ATOM 675 O LYS B 9 9.304 -3.083 1.709 1.00 0.00 O ATOM 676 CB LYS B 9 12.237 -1.937 3.079 1.00 0.00 C ATOM 677 CG LYS B 9 12.959 -2.044 4.411 1.00 0.00 C ATOM 678 CD LYS B 9 13.644 -0.739 4.780 1.00 0.00 C ATOM 679 CE LYS B 9 14.269 -0.812 6.162 1.00 0.00 C ATOM 680 NZ LYS B 9 13.246 -0.997 7.224 1.00 0.00 N ATOM 0 H LYS B 9 13.407 -3.991 2.338 1.00 0.00 H new ATOM 0 HA LYS B 9 10.920 -3.571 3.538 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.961 -1.693 2.302 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.529 -1.110 3.125 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.248 -2.316 5.191 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.699 -2.843 4.362 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.413 -0.509 4.043 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.920 0.075 4.749 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.980 -1.637 6.196 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.831 0.102 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.668 -0.790 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.449 -0.351 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.905 -1.979 7.210 1.00 0.00 H new ATOM 694 N VAL B 10 11.034 -2.471 0.407 1.00 0.00 N ATOM 695 CA VAL B 10 10.186 -2.134 -0.735 1.00 0.00 C ATOM 696 C VAL B 10 9.314 -3.327 -1.135 1.00 0.00 C ATOM 697 O VAL B 10 8.131 -3.169 -1.437 1.00 0.00 O ATOM 698 CB VAL B 10 11.021 -1.642 -1.948 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.067 -2.667 -2.361 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.114 -1.303 -3.121 1.00 0.00 C ATOM 0 H VAL B 10 12.033 -2.342 0.246 1.00 0.00 H new ATOM 0 HA VAL B 10 9.537 -1.314 -0.426 1.00 0.00 H new ATOM 0 HB VAL B 10 11.547 -0.738 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.632 -2.288 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.746 -2.850 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.574 -3.599 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.718 -0.960 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.553 -2.190 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.420 -0.515 -2.828 1.00 0.00 H new ATOM 710 N GLU B 11 9.896 -4.523 -1.086 1.00 0.00 N ATOM 711 CA GLU B 11 9.176 -5.749 -1.410 1.00 0.00 C ATOM 712 C GLU B 11 8.023 -5.977 -0.433 1.00 0.00 C ATOM 713 O GLU B 11 6.885 -6.230 -0.841 1.00 0.00 O ATOM 714 CB GLU B 11 10.137 -6.938 -1.373 1.00 0.00 C ATOM 715 CG GLU B 11 9.485 -8.266 -1.712 1.00 0.00 C ATOM 716 CD GLU B 11 10.453 -9.428 -1.617 1.00 0.00 C ATOM 717 OE1 GLU B 11 11.123 -9.726 -2.626 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.542 -10.040 -0.531 1.00 0.00 O ATOM 0 H GLU B 11 10.871 -4.668 -0.823 1.00 0.00 H new ATOM 0 HA GLU B 11 8.760 -5.652 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.952 -6.756 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.579 -7.005 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.647 -8.439 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.076 -8.219 -2.721 1.00 0.00 H new ATOM 725 N GLU B 12 8.328 -5.899 0.856 1.00 0.00 N ATOM 726 CA GLU B 12 7.321 -6.080 1.898 1.00 0.00 C ATOM 727 C GLU B 12 6.213 -5.031 1.813 1.00 0.00 C ATOM 728 O GLU B 12 5.032 -5.366 1.885 1.00 0.00 O ATOM 729 CB GLU B 12 7.960 -6.041 3.285 1.00 0.00 C ATOM 730 CG GLU B 12 8.828 -7.249 3.590 1.00 0.00 C ATOM 731 CD GLU B 12 9.489 -7.161 4.949 1.00 0.00 C ATOM 732 OE1 GLU B 12 10.606 -6.608 5.031 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.893 -7.647 5.932 1.00 0.00 O ATOM 0 H GLU B 12 9.267 -5.711 1.207 1.00 0.00 H new ATOM 0 HA GLU B 12 6.872 -7.060 1.735 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.565 -5.138 3.372 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.173 -5.971 4.036 1.00 0.00 H new ATOM 0 HG2 GLU B 12 8.218 -8.151 3.544 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.596 -7.344 2.822 1.00 0.00 H new ATOM 740 N LEU B 13 6.571 -3.763 1.665 1.00 0.00 N ATOM 741 CA LEU B 13 5.565 -2.718 1.641 1.00 0.00 C ATOM 742 C LEU B 13 4.759 -2.665 0.343 1.00 0.00 C ATOM 743 O LEU B 13 3.714 -2.018 0.302 1.00 0.00 O ATOM 744 CB LEU B 13 6.173 -1.363 1.972 1.00 0.00 C ATOM 745 CG LEU B 13 6.391 -1.151 3.467 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.683 -1.801 3.934 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.379 0.324 3.815 1.00 0.00 C ATOM 0 H LEU B 13 7.533 -3.440 1.562 1.00 0.00 H new ATOM 0 HA LEU B 13 4.848 -2.978 2.420 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.127 -1.264 1.455 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.521 -0.577 1.591 1.00 0.00 H new ATOM 0 HG LEU B 13 5.565 -1.632 3.991 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.809 -1.632 5.003 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.643 -2.873 3.738 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.525 -1.365 3.396 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.537 0.446 4.887 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.175 0.833 3.271 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.417 0.755 3.538 1.00 0.00 H new ATOM 759 N LEU B 14 5.208 -3.330 -0.717 1.00 0.00 N ATOM 760 CA LEU B 14 4.349 -3.477 -1.886 1.00 0.00 C ATOM 761 C LEU B 14 3.486 -4.721 -1.736 1.00 0.00 C ATOM 762 O LEU B 14 2.471 -4.873 -2.412 1.00 0.00 O ATOM 763 CB LEU B 14 5.140 -3.474 -3.204 1.00 0.00 C ATOM 764 CG LEU B 14 6.190 -4.565 -3.410 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.556 -5.866 -3.884 1.00 0.00 C ATOM 766 CD2 LEU B 14 7.223 -4.082 -4.413 1.00 0.00 C ATOM 0 H LEU B 14 6.129 -3.762 -0.792 1.00 0.00 H new ATOM 0 HA LEU B 14 3.695 -2.606 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU B 14 4.424 -3.539 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.639 -2.509 -3.293 1.00 0.00 H new ATOM 0 HG LEU B 14 6.673 -4.768 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.331 -6.620 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.839 -6.213 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.044 -5.697 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.974 -4.857 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.734 -3.862 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.703 -3.180 -4.035 1.00 0.00 H new ATOM 778 N SER B 15 3.891 -5.596 -0.824 1.00 0.00 N ATOM 779 CA SER B 15 3.085 -6.731 -0.436 1.00 0.00 C ATOM 780 C SER B 15 1.849 -6.248 0.317 1.00 0.00 C ATOM 781 O SER B 15 0.731 -6.684 0.026 1.00 0.00 O ATOM 782 CB SER B 15 3.906 -7.699 0.424 1.00 0.00 C ATOM 783 OG SER B 15 3.119 -8.774 0.908 1.00 0.00 O ATOM 0 H SER B 15 4.786 -5.533 -0.338 1.00 0.00 H new ATOM 0 HA SER B 15 2.763 -7.266 -1.329 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.736 -8.092 -0.164 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.339 -7.159 1.266 1.00 0.00 H new ATOM 0 HG SER B 15 3.677 -9.370 1.450 1.00 0.00 H new ATOM 789 N LYS B 16 2.032 -5.329 1.275 1.00 0.00 N ATOM 790 CA LYS B 16 0.880 -4.779 1.984 1.00 0.00 C ATOM 791 C LYS B 16 -0.016 -3.954 1.043 1.00 0.00 C ATOM 792 O LYS B 16 -1.196 -3.757 1.331 1.00 0.00 O ATOM 793 CB LYS B 16 1.309 -3.961 3.221 1.00 0.00 C ATOM 794 CG LYS B 16 2.004 -2.641 2.925 1.00 0.00 C ATOM 795 CD LYS B 16 2.382 -1.938 4.223 1.00 0.00 C ATOM 796 CE LYS B 16 2.890 -0.522 3.993 1.00 0.00 C ATOM 797 NZ LYS B 16 3.055 0.211 5.274 1.00 0.00 N ATOM 0 H LYS B 16 2.938 -4.963 1.567 1.00 0.00 H new ATOM 0 HA LYS B 16 0.288 -5.620 2.345 1.00 0.00 H new ATOM 0 HB2 LYS B 16 0.425 -3.758 3.825 1.00 0.00 H new ATOM 0 HB3 LYS B 16 1.976 -4.575 3.827 1.00 0.00 H new ATOM 0 HG2 LYS B 16 2.898 -2.819 2.327 1.00 0.00 H new ATOM 0 HG3 LYS B 16 1.348 -2.001 2.335 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.514 -1.907 4.881 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.150 -2.517 4.736 1.00 0.00 H new ATOM 0 HE2 LYS B 16 3.844 -0.557 3.467 1.00 0.00 H new ATOM 0 HE3 LYS B 16 2.192 0.016 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 3.402 1.172 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 2.139 0.265 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 3.739 -0.291 5.875 1.00 0.00 H new ATOM 811 N ASN B 17 0.527 -3.512 -0.099 1.00 0.00 N ATOM 812 CA ASN B 17 -0.276 -2.826 -1.114 1.00 0.00 C ATOM 813 C ASN B 17 -1.317 -3.763 -1.705 1.00 0.00 C ATOM 814 O ASN B 17 -2.444 -3.355 -1.984 1.00 0.00 O ATOM 815 CB ASN B 17 0.587 -2.281 -2.256 1.00 0.00 C ATOM 816 CG ASN B 17 1.003 -0.842 -2.054 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.259 0.078 -2.381 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.204 -0.634 -1.548 1.00 0.00 N ATOM 0 H ASN B 17 1.512 -3.617 -0.340 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.764 -1.992 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.479 -2.900 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.035 -2.365 -3.192 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.544 0.319 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.792 -1.426 -1.289 1.00 0.00 H new ATOM 825 N TYR B 18 -0.933 -5.018 -1.907 1.00 0.00 N ATOM 826 CA TYR B 18 -1.843 -6.010 -2.460 1.00 0.00 C ATOM 827 C TYR B 18 -2.980 -6.267 -1.487 1.00 0.00 C ATOM 828 O TYR B 18 -4.142 -6.340 -1.879 1.00 0.00 O ATOM 829 CB TYR B 18 -1.112 -7.317 -2.770 1.00 0.00 C ATOM 830 CG TYR B 18 -0.007 -7.174 -3.792 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.281 -7.605 -3.514 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.252 -6.604 -5.034 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.295 -7.474 -4.443 1.00 0.00 C ATOM 834 CE2 TYR B 18 0.756 -6.470 -5.969 1.00 0.00 C ATOM 835 CZ TYR B 18 2.027 -6.906 -5.669 1.00 0.00 C ATOM 836 OH TYR B 18 3.034 -6.775 -6.599 1.00 0.00 O ATOM 0 H TYR B 18 0.001 -5.371 -1.696 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.248 -5.619 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.690 -7.714 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.834 -8.049 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.495 -8.051 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.247 -6.260 -5.273 1.00 0.00 H new ATOM 0 HE1 TYR B 18 3.293 -7.815 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR B 18 0.548 -6.025 -6.931 1.00 0.00 H new ATOM 0 HH TYR B 18 2.678 -6.356 -7.410 1.00 0.00 H new ATOM 846 N HIS B 19 -2.638 -6.373 -0.209 1.00 0.00 N ATOM 847 CA HIS B 19 -3.637 -6.587 0.832 1.00 0.00 C ATOM 848 C HIS B 19 -4.556 -5.377 0.934 1.00 0.00 C ATOM 849 O HIS B 19 -5.762 -5.516 1.129 1.00 0.00 O ATOM 850 CB HIS B 19 -2.967 -6.871 2.178 1.00 0.00 C ATOM 851 CG HIS B 19 -2.234 -8.177 2.212 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.974 -8.323 2.751 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.596 -9.404 1.772 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.593 -9.581 2.636 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.560 -10.257 2.047 1.00 0.00 N ATOM 0 H HIS B 19 -1.678 -6.314 0.132 1.00 0.00 H new ATOM 0 HA HIS B 19 -4.235 -7.458 0.564 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.270 -6.065 2.406 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.725 -6.867 2.961 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.529 -9.663 1.293 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.351 -9.988 2.968 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -1.540 -11.254 1.831 1.00 0.00 H new ATOM 864 N LEU B 20 -3.979 -4.191 0.779 1.00 0.00 N ATOM 865 CA LEU B 20 -4.757 -2.960 0.730 1.00 0.00 C ATOM 866 C LEU B 20 -5.706 -2.977 -0.465 1.00 0.00 C ATOM 867 O LEU B 20 -6.875 -2.613 -0.347 1.00 0.00 O ATOM 868 CB LEU B 20 -3.826 -1.746 0.651 1.00 0.00 C ATOM 869 CG LEU B 20 -3.777 -0.863 1.903 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.119 -0.191 2.139 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.378 -1.674 3.124 1.00 0.00 C ATOM 0 H LEU B 20 -2.972 -4.056 0.685 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.349 -2.888 1.642 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.817 -2.099 0.438 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.134 -1.130 -0.194 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.024 -0.092 1.739 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.062 0.431 3.032 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.371 0.430 1.280 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.888 -0.952 2.275 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.350 -1.025 3.999 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.105 -2.470 3.286 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.392 -2.110 2.965 1.00 0.00 H new ATOM 883 N GLU B 21 -5.203 -3.425 -1.611 1.00 0.00 N ATOM 884 CA GLU B 21 -6.010 -3.506 -2.823 1.00 0.00 C ATOM 885 C GLU B 21 -7.131 -4.526 -2.643 1.00 0.00 C ATOM 886 O GLU B 21 -8.240 -4.337 -3.137 1.00 0.00 O ATOM 887 CB GLU B 21 -5.126 -3.870 -4.022 1.00 0.00 C ATOM 888 CG GLU B 21 -5.781 -3.637 -5.377 1.00 0.00 C ATOM 889 CD GLU B 21 -6.621 -4.807 -5.857 1.00 0.00 C ATOM 890 OE1 GLU B 21 -6.035 -5.849 -6.208 1.00 0.00 O ATOM 891 OE2 GLU B 21 -7.863 -4.675 -5.898 1.00 0.00 O ATOM 0 H GLU B 21 -4.239 -3.738 -1.726 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.463 -2.533 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.207 -3.287 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.843 -4.920 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.410 -2.749 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.006 -3.431 -6.115 1.00 0.00 H new ATOM 898 N ASN B 22 -6.831 -5.601 -1.924 1.00 0.00 N ATOM 899 CA ASN B 22 -7.832 -6.619 -1.598 1.00 0.00 C ATOM 900 C ASN B 22 -8.968 -6.018 -0.774 1.00 0.00 C ATOM 901 O ASN B 22 -10.100 -6.500 -0.809 1.00 0.00 O ATOM 902 CB ASN B 22 -7.201 -7.790 -0.833 1.00 0.00 C ATOM 903 CG ASN B 22 -6.492 -8.791 -1.734 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.933 -8.322 -2.840 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -6.439 -9.983 -1.431 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.901 -5.794 -1.553 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.236 -6.994 -2.538 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.488 -7.398 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.978 -8.307 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -6.880 -10.311 -0.572 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.954 -10.643 -2.039 1.00 0.00 H new ATOM 912 N GLU B 23 -8.661 -4.961 -0.032 1.00 0.00 N ATOM 913 CA GLU B 23 -9.666 -4.264 0.754 1.00 0.00 C ATOM 914 C GLU B 23 -10.510 -3.372 -0.148 1.00 0.00 C ATOM 915 O GLU B 23 -11.728 -3.300 -0.001 1.00 0.00 O ATOM 916 CB GLU B 23 -9.011 -3.424 1.854 1.00 0.00 C ATOM 917 CG GLU B 23 -8.229 -4.240 2.869 1.00 0.00 C ATOM 918 CD GLU B 23 -7.584 -3.375 3.938 1.00 0.00 C ATOM 919 OE1 GLU B 23 -6.399 -3.021 3.779 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.270 -3.051 4.931 1.00 0.00 O ATOM 0 H GLU B 23 -7.722 -4.569 0.041 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.308 -5.008 1.225 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.341 -2.698 1.393 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.784 -2.859 2.375 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.896 -4.960 3.343 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.457 -4.811 2.354 1.00 0.00 H new ATOM 927 N VAL B 24 -9.855 -2.709 -1.096 1.00 0.00 N ATOM 928 CA VAL B 24 -10.550 -1.816 -2.014 1.00 0.00 C ATOM 929 C VAL B 24 -11.466 -2.608 -2.946 1.00 0.00 C ATOM 930 O VAL B 24 -12.548 -2.152 -3.317 1.00 0.00 O ATOM 931 CB VAL B 24 -9.566 -0.967 -2.857 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.315 0.060 -3.696 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.555 -0.276 -1.962 1.00 0.00 C ATOM 0 H VAL B 24 -8.848 -2.773 -1.248 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.147 -1.138 -1.404 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.034 -1.639 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.602 0.643 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.002 -0.452 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.878 0.725 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.873 0.315 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.075 0.378 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.989 -1.024 -1.407 1.00 0.00 H new ATOM 943 N ALA B 25 -11.035 -3.806 -3.307 1.00 0.00 N ATOM 944 CA ALA B 25 -11.811 -4.652 -4.199 1.00 0.00 C ATOM 945 C ALA B 25 -13.037 -5.228 -3.497 1.00 0.00 C ATOM 946 O ALA B 25 -14.107 -5.333 -4.092 1.00 0.00 O ATOM 947 CB ALA B 25 -10.945 -5.769 -4.759 1.00 0.00 C ATOM 0 H ALA B 25 -10.153 -4.214 -2.997 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.162 -4.032 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.541 -6.393 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.111 -5.339 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.560 -6.377 -3.940 1.00 0.00 H new ATOM 953 N ARG B 26 -12.882 -5.579 -2.223 1.00 0.00 N ATOM 954 CA ARG B 26 -13.961 -6.214 -1.472 1.00 0.00 C ATOM 955 C ARG B 26 -15.101 -5.234 -1.231 1.00 0.00 C ATOM 956 O ARG B 26 -16.275 -5.573 -1.380 1.00 0.00 O ATOM 957 CB ARG B 26 -13.425 -6.779 -0.148 1.00 0.00 C ATOM 958 CG ARG B 26 -13.247 -5.770 0.982 1.00 0.00 C ATOM 959 CD ARG B 26 -12.639 -6.418 2.215 1.00 0.00 C ATOM 960 NE ARG B 26 -11.362 -7.075 1.925 1.00 0.00 N ATOM 961 CZ ARG B 26 -10.439 -7.353 2.846 1.00 0.00 C ATOM 962 NH1 ARG B 26 -10.622 -6.984 4.108 1.00 0.00 N ATOM 963 NH2 ARG B 26 -9.332 -7.997 2.504 1.00 0.00 N ATOM 0 H ARG B 26 -12.024 -5.435 -1.691 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.356 -7.042 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.104 -7.561 0.192 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.463 -7.254 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.607 -4.954 0.645 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.213 -5.334 1.237 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.489 -5.661 2.984 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.338 -7.150 2.620 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.167 -7.336 0.958 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.471 -6.486 4.376 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -9.914 -7.198 4.810 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -9.186 -8.280 1.535 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -8.627 -8.209 3.210 1.00 0.00 H new ATOM 977 N LEU B 27 -14.736 -4.014 -0.885 1.00 0.00 N ATOM 978 CA LEU B 27 -15.711 -2.957 -0.632 1.00 0.00 C ATOM 979 C LEU B 27 -16.471 -2.587 -1.888 1.00 0.00 C ATOM 980 O LEU B 27 -17.672 -2.338 -1.841 1.00 0.00 O ATOM 981 CB LEU B 27 -15.020 -1.726 -0.082 1.00 0.00 C ATOM 982 CG LEU B 27 -14.597 -1.823 1.372 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.532 -0.803 1.665 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.789 -1.631 2.296 1.00 0.00 C ATOM 0 H LEU B 27 -13.765 -3.724 -0.771 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.423 -3.338 0.100 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.138 -1.522 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.688 -0.872 -0.194 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.191 -2.819 1.550 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.233 -0.879 2.711 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.668 -0.986 1.027 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.922 0.196 1.470 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.461 -1.705 3.333 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.229 -0.649 2.123 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.533 -2.402 2.095 1.00 0.00 H new ATOM 996 N LYS B 28 -15.755 -2.527 -3.000 1.00 0.00 N ATOM 997 CA LYS B 28 -16.363 -2.261 -4.301 1.00 0.00 C ATOM 998 C LYS B 28 -17.590 -3.154 -4.529 1.00 0.00 C ATOM 999 O LYS B 28 -18.621 -2.694 -5.022 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.327 -2.471 -5.410 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.859 -2.220 -6.812 1.00 0.00 C ATOM 1002 CD LYS B 28 -16.390 -0.805 -6.973 1.00 0.00 C ATOM 1003 CE LYS B 28 -16.952 -0.588 -8.366 1.00 0.00 C ATOM 1004 NZ LYS B 28 -17.585 0.748 -8.509 1.00 0.00 N ATOM 0 H LYS B 28 -14.744 -2.660 -3.030 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.700 -1.225 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.479 -1.809 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.951 -3.493 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.065 -2.394 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.654 -2.933 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.166 -0.618 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.590 -0.089 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.152 -0.691 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.687 -1.363 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.956 0.855 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.365 0.837 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.878 1.488 -8.325 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.482 -4.420 -4.137 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.589 -5.358 -4.265 1.00 0.00 C ATOM 1020 C LYS B 29 -19.709 -5.011 -3.291 1.00 0.00 C ATOM 1021 O LYS B 29 -20.886 -5.065 -3.643 1.00 0.00 O ATOM 1022 CB LYS B 29 -18.116 -6.798 -4.018 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.502 -7.498 -5.230 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.294 -6.752 -5.769 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.684 -7.469 -6.960 1.00 0.00 C ATOM 1026 NZ LYS B 29 -14.497 -6.750 -7.490 1.00 0.00 N ATOM 0 H LYS B 29 -16.637 -4.819 -3.728 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.971 -5.282 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.381 -6.789 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.964 -7.387 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.208 -8.511 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.253 -7.587 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.588 -5.744 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.547 -6.651 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.396 -8.479 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.431 -7.566 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.109 -7.271 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.776 -5.795 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.773 -6.680 -6.747 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.330 -4.639 -2.076 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.289 -4.282 -1.031 1.00 0.00 C ATOM 1042 C LEU B 30 -21.118 -3.061 -1.427 1.00 0.00 C ATOM 1043 O LEU B 30 -22.299 -2.966 -1.089 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.557 -4.002 0.287 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.354 -5.198 1.233 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -20.681 -5.658 1.815 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.660 -6.350 0.522 1.00 0.00 C ATOM 0 H LEU B 30 -18.355 -4.575 -1.784 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.965 -5.127 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.578 -3.585 0.050 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.109 -3.232 0.826 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.713 -4.868 2.050 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -20.512 -6.505 2.481 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -21.135 -4.841 2.375 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -21.348 -5.959 1.007 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.530 -7.181 1.216 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.267 -6.675 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -17.685 -6.021 0.163 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.492 -2.127 -2.137 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.176 -0.917 -2.579 1.00 0.00 C ATOM 1061 C VAL B 31 -22.199 -1.237 -3.669 1.00 0.00 C ATOM 1062 O VAL B 31 -23.214 -0.549 -3.806 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.175 0.149 -3.092 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.896 1.419 -3.521 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.143 0.465 -2.022 1.00 0.00 C ATOM 0 H VAL B 31 -19.513 -2.185 -2.418 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.697 -0.507 -1.714 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.665 -0.261 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.168 2.148 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.597 1.186 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.440 1.833 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.447 1.215 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.645 0.848 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.595 -0.442 -1.766 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.942 -2.291 -4.432 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.866 -2.680 -5.475 1.00 0.00 C ATOM 1077 C GLY B 32 -22.179 -3.301 -6.671 1.00 0.00 C ATOM 1078 O GLY B 32 -22.510 -2.975 -7.810 1.00 0.00 O ATOM 0 H GLY B 32 -21.114 -2.880 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -23.587 -3.389 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -23.428 -1.805 -5.800 1.00 0.00 H new ATOM 1082 N GLU B 33 -21.231 -4.198 -6.405 1.00 0.00 N ATOM 1083 CA GLU B 33 -20.496 -4.906 -7.456 1.00 0.00 C ATOM 1084 C GLU B 33 -19.710 -3.915 -8.315 1.00 0.00 C ATOM 1085 O GLU B 33 -20.220 -3.497 -9.376 1.00 0.00 O ATOM 1086 CB GLU B 33 -21.462 -5.742 -8.318 1.00 0.00 C ATOM 1087 CG GLU B 33 -20.799 -6.856 -9.126 1.00 0.00 C ATOM 1088 CD GLU B 33 -19.959 -6.352 -10.287 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -20.538 -6.024 -11.342 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -18.721 -6.294 -10.143 1.00 0.00 O ATOM 1091 OXT GLU B 33 -18.586 -3.560 -7.928 1.00 0.00 O ATOM 0 H GLU B 33 -20.950 -4.455 -5.459 1.00 0.00 H new ATOM 0 HA GLU B 33 -19.785 -5.587 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -22.217 -6.184 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -21.984 -5.075 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -20.168 -7.448 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -21.571 -7.523 -9.510 1.00 0.00 H new TER 1098 GLU B 33