USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 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 :FLIP amide:sc= -2.02! X(o=-4.1,f=-3.9!) USER MOD Set 1.2: B 17 ASN :FLIP amide:sc= -1.86! X(o=-4.1,f=-3.9!) USER MOD Set 2.1: A 3 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 2.2: B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.048 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.0106 (180deg=-0.108) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.03 F(o=-2.3!,f=-1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -64:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.17) USER MOD Single : A 22 ASN : amide:sc=-0.00383 K(o=-0.0038,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -0.0158 (180deg=-0.168) USER MOD Single : B 1 GLY N :NH3+ -106:sc= 0.0391 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 171:sc=-0.00713 (180deg=-0.0951) USER MOD Single : B 5 GLN :FLIP amide:sc= -1.04 F(o=-2.4!,f=-1) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -24:sc= 1.31 USER MOD Single : B 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0134) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.19) USER MOD Single : B 22 ASN : amide:sc=-0.00937 K(o=-0.0094,f=-1.5) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= -0.023 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.837 6.948 -6.160 1.00 0.00 N ATOM 2 CA GLY A 1 24.587 5.800 -5.257 1.00 0.00 C ATOM 3 C GLY A 1 23.197 5.237 -5.445 1.00 0.00 C ATOM 4 O GLY A 1 22.284 5.956 -5.849 1.00 0.00 O ATOM 0 H1 GLY A 1 25.278 7.722 -5.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.472 6.653 -6.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.936 7.276 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.325 5.020 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.715 6.116 -4.222 1.00 0.00 H new ATOM 10 N SER A 2 23.029 3.955 -5.154 1.00 0.00 N ATOM 11 CA SER A 2 21.745 3.292 -5.333 1.00 0.00 C ATOM 12 C SER A 2 20.790 3.631 -4.194 1.00 0.00 C ATOM 13 O SER A 2 19.577 3.718 -4.394 1.00 0.00 O ATOM 14 CB SER A 2 21.944 1.780 -5.418 1.00 0.00 C ATOM 15 OG SER A 2 22.834 1.445 -6.470 1.00 0.00 O ATOM 0 H SER A 2 23.768 3.352 -4.792 1.00 0.00 H new ATOM 0 HA SER A 2 21.304 3.649 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.336 1.407 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.983 1.291 -5.580 1.00 0.00 H new ATOM 0 HG SER A 2 22.948 0.472 -6.505 1.00 0.00 H new ATOM 21 N MET A 3 21.348 3.850 -3.006 1.00 0.00 N ATOM 22 CA MET A 3 20.552 4.125 -1.813 1.00 0.00 C ATOM 23 C MET A 3 19.659 5.344 -1.998 1.00 0.00 C ATOM 24 O MET A 3 18.535 5.372 -1.499 1.00 0.00 O ATOM 25 CB MET A 3 21.456 4.324 -0.596 1.00 0.00 C ATOM 26 CG MET A 3 21.944 3.026 0.023 1.00 0.00 C ATOM 27 SD MET A 3 20.585 2.007 0.635 1.00 0.00 S ATOM 28 CE MET A 3 21.478 0.648 1.391 1.00 0.00 C ATOM 0 H MET A 3 22.355 3.842 -2.844 1.00 0.00 H new ATOM 0 HA MET A 3 19.911 3.259 -1.647 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.318 4.923 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.914 4.894 0.158 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.512 2.464 -0.718 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.625 3.251 0.844 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.850 -0.243 1.395 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.387 0.449 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.741 0.911 2.416 1.00 0.00 H new ATOM 38 N LYS A 4 20.163 6.339 -2.720 1.00 0.00 N ATOM 39 CA LYS A 4 19.416 7.563 -2.985 1.00 0.00 C ATOM 40 C LYS A 4 18.034 7.252 -3.563 1.00 0.00 C ATOM 41 O LYS A 4 17.010 7.622 -2.988 1.00 0.00 O ATOM 42 CB LYS A 4 20.203 8.451 -3.955 1.00 0.00 C ATOM 43 CG LYS A 4 19.549 9.793 -4.242 1.00 0.00 C ATOM 44 CD LYS A 4 19.474 10.658 -2.995 1.00 0.00 C ATOM 45 CE LYS A 4 18.899 12.031 -3.301 1.00 0.00 C ATOM 46 NZ LYS A 4 17.499 11.954 -3.801 1.00 0.00 N ATOM 0 H LYS A 4 21.094 6.321 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 4 19.277 8.090 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.198 8.625 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.335 7.915 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.114 10.316 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.545 9.632 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.857 10.163 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.470 10.767 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.928 12.645 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.522 12.527 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.095 12.911 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.492 11.524 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.930 11.373 -3.153 1.00 0.00 H new ATOM 60 N GLN A 5 18.013 6.545 -4.685 1.00 0.00 N ATOM 61 CA GLN A 5 16.763 6.227 -5.366 1.00 0.00 C ATOM 62 C GLN A 5 15.999 5.146 -4.614 1.00 0.00 C ATOM 63 O GLN A 5 14.772 5.137 -4.602 1.00 0.00 O ATOM 64 CB GLN A 5 17.014 5.765 -6.807 1.00 0.00 C ATOM 65 CG GLN A 5 17.711 6.794 -7.686 1.00 0.00 C ATOM 66 CD GLN A 5 19.195 6.927 -7.395 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.827 5.827 -7.016 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 19.773 8.005 -7.532 1.00 0.00 N flip ATOM 0 H GLN A 5 18.848 6.180 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 5 16.167 7.139 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.616 4.857 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.059 5.503 -7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.576 6.519 -8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.232 7.764 -7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.250 8.830 -7.826 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.775 8.073 -7.352 1.00 0.00 H new ATOM 77 N LEU A 6 16.733 4.243 -3.979 1.00 0.00 N ATOM 78 CA LEU A 6 16.123 3.118 -3.281 1.00 0.00 C ATOM 79 C LEU A 6 15.327 3.595 -2.066 1.00 0.00 C ATOM 80 O LEU A 6 14.254 3.068 -1.773 1.00 0.00 O ATOM 81 CB LEU A 6 17.195 2.109 -2.868 1.00 0.00 C ATOM 82 CG LEU A 6 16.673 0.772 -2.341 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.730 0.126 -3.345 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.832 -0.159 -2.048 1.00 0.00 C ATOM 0 H LEU A 6 17.752 4.267 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 6 15.428 2.626 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.837 1.915 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.820 2.564 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 6 16.121 0.959 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.371 -0.824 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.882 0.787 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.260 -0.049 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.450 -1.109 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.400 -0.332 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.481 0.293 -1.298 1.00 0.00 H new ATOM 96 N GLU A 7 15.842 4.607 -1.372 1.00 0.00 N ATOM 97 CA GLU A 7 15.116 5.195 -0.251 1.00 0.00 C ATOM 98 C GLU A 7 13.868 5.914 -0.746 1.00 0.00 C ATOM 99 O GLU A 7 12.831 5.910 -0.083 1.00 0.00 O ATOM 100 CB GLU A 7 15.999 6.163 0.542 1.00 0.00 C ATOM 101 CG GLU A 7 16.696 5.526 1.737 1.00 0.00 C ATOM 102 CD GLU A 7 17.744 4.502 1.349 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.370 3.352 1.035 1.00 0.00 O ATOM 104 OE2 GLU A 7 18.943 4.851 1.365 1.00 0.00 O ATOM 0 H GLU A 7 16.749 5.033 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 7 14.821 4.384 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.753 6.581 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.387 6.994 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.166 6.308 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.949 5.048 2.371 1.00 0.00 H new ATOM 111 N ASP A 8 13.968 6.520 -1.925 1.00 0.00 N ATOM 112 CA ASP A 8 12.822 7.180 -2.534 1.00 0.00 C ATOM 113 C ASP A 8 11.803 6.152 -3.004 1.00 0.00 C ATOM 114 O ASP A 8 10.604 6.411 -2.990 1.00 0.00 O ATOM 115 CB ASP A 8 13.244 8.066 -3.708 1.00 0.00 C ATOM 116 CG ASP A 8 13.857 9.379 -3.261 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.084 9.543 -3.409 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.108 10.242 -2.760 1.00 0.00 O ATOM 0 H ASP A 8 14.826 6.567 -2.474 1.00 0.00 H new ATOM 0 HA ASP A 8 12.367 7.815 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.962 7.526 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.375 8.270 -4.334 1.00 0.00 H new ATOM 123 N LYS A 9 12.291 4.984 -3.407 1.00 0.00 N ATOM 124 CA LYS A 9 11.431 3.902 -3.874 1.00 0.00 C ATOM 125 C LYS A 9 10.477 3.453 -2.770 1.00 0.00 C ATOM 126 O LYS A 9 9.280 3.297 -3.002 1.00 0.00 O ATOM 127 CB LYS A 9 12.275 2.717 -4.353 1.00 0.00 C ATOM 128 CG LYS A 9 11.454 1.584 -4.947 1.00 0.00 C ATOM 129 CD LYS A 9 12.336 0.453 -5.449 1.00 0.00 C ATOM 130 CE LYS A 9 11.509 -0.650 -6.088 1.00 0.00 C ATOM 131 NZ LYS A 9 12.357 -1.748 -6.620 1.00 0.00 N ATOM 0 H LYS A 9 13.286 4.761 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 9 10.841 4.275 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.988 3.068 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.855 2.333 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.765 1.201 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.849 1.966 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.051 0.841 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.913 0.044 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.814 -1.054 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.910 -0.231 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.752 -2.478 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.003 -1.369 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.910 -2.166 -5.845 1.00 0.00 H new ATOM 145 N VAL A 10 11.013 3.259 -1.572 1.00 0.00 N ATOM 146 CA VAL A 10 10.199 2.874 -0.423 1.00 0.00 C ATOM 147 C VAL A 10 9.171 3.961 -0.111 1.00 0.00 C ATOM 148 O VAL A 10 8.012 3.671 0.190 1.00 0.00 O ATOM 149 CB VAL A 10 11.076 2.612 0.821 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.224 2.190 2.009 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.127 1.558 0.518 1.00 0.00 C ATOM 0 H VAL A 10 12.007 3.362 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 10 9.680 1.950 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 10 11.582 3.542 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.866 2.012 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.511 2.980 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.684 1.276 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.736 1.386 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.637 0.628 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.763 1.902 -0.297 1.00 0.00 H new ATOM 161 N GLU A 11 9.600 5.215 -0.210 1.00 0.00 N ATOM 162 CA GLU A 11 8.709 6.350 0.006 1.00 0.00 C ATOM 163 C GLU A 11 7.621 6.388 -1.064 1.00 0.00 C ATOM 164 O GLU A 11 6.486 6.783 -0.795 1.00 0.00 O ATOM 165 CB GLU A 11 9.499 7.657 0.005 1.00 0.00 C ATOM 166 CG GLU A 11 10.523 7.740 1.122 1.00 0.00 C ATOM 167 CD GLU A 11 11.339 9.015 1.071 1.00 0.00 C ATOM 168 OE1 GLU A 11 12.320 9.058 0.298 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.000 9.969 1.801 1.00 0.00 O ATOM 0 H GLU A 11 10.560 5.471 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 11 8.233 6.232 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.007 7.766 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.805 8.493 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.013 7.678 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.192 6.882 1.061 1.00 0.00 H new ATOM 176 N GLU A 12 7.981 5.984 -2.278 1.00 0.00 N ATOM 177 CA GLU A 12 7.007 5.832 -3.352 1.00 0.00 C ATOM 178 C GLU A 12 5.899 4.859 -2.950 1.00 0.00 C ATOM 179 O GLU A 12 4.721 5.159 -3.111 1.00 0.00 O ATOM 180 CB GLU A 12 7.681 5.357 -4.640 1.00 0.00 C ATOM 181 CG GLU A 12 8.544 6.412 -5.312 1.00 0.00 C ATOM 182 CD GLU A 12 7.734 7.585 -5.828 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.284 7.529 -6.990 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.544 8.556 -5.070 1.00 0.00 O ATOM 0 H GLU A 12 8.940 5.756 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 12 6.562 6.810 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.298 4.487 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.913 5.031 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.288 6.773 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.087 5.958 -6.141 1.00 0.00 H new ATOM 191 N LEU A 13 6.266 3.699 -2.418 1.00 0.00 N ATOM 192 CA LEU A 13 5.259 2.736 -1.977 1.00 0.00 C ATOM 193 C LEU A 13 4.453 3.242 -0.787 1.00 0.00 C ATOM 194 O LEU A 13 3.335 2.778 -0.563 1.00 0.00 O ATOM 195 CB LEU A 13 5.847 1.356 -1.673 1.00 0.00 C ATOM 196 CG LEU A 13 6.101 0.506 -2.910 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.351 0.959 -3.647 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.198 -0.959 -2.537 1.00 0.00 C ATOM 0 H LEU A 13 7.233 3.404 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 13 4.580 2.625 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.785 1.483 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.167 0.821 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 13 5.255 0.636 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.503 0.331 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.233 1.997 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.214 0.874 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.380 -1.551 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.019 -1.102 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.265 -1.279 -2.074 1.00 0.00 H new ATOM 210 N LEU A 14 4.999 4.186 -0.026 1.00 0.00 N ATOM 211 CA LEU A 14 4.222 4.837 1.018 1.00 0.00 C ATOM 212 C LEU A 14 3.020 5.539 0.411 1.00 0.00 C ATOM 213 O LEU A 14 1.916 5.454 0.944 1.00 0.00 O ATOM 214 CB LEU A 14 5.052 5.853 1.807 1.00 0.00 C ATOM 215 CG LEU A 14 6.088 5.291 2.809 1.00 0.00 C ATOM 216 CD1 LEU A 14 6.271 6.244 3.987 1.00 0.00 C ATOM 217 CD2 LEU A 14 5.696 3.914 3.330 1.00 0.00 C ATOM 0 H LEU A 14 5.962 4.512 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 14 3.896 4.059 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.580 6.485 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.365 6.497 2.356 1.00 0.00 H new ATOM 0 HG LEU A 14 7.028 5.193 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.004 5.830 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.621 7.210 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.319 6.374 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.453 3.561 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.734 3.978 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.620 3.217 2.495 1.00 0.00 H new ATOM 229 N SER A 15 3.225 6.221 -0.713 1.00 0.00 N ATOM 230 CA SER A 15 2.121 6.894 -1.373 1.00 0.00 C ATOM 231 C SER A 15 1.122 5.860 -1.879 1.00 0.00 C ATOM 232 O SER A 15 -0.084 6.083 -1.814 1.00 0.00 O ATOM 233 CB SER A 15 2.604 7.813 -2.507 1.00 0.00 C ATOM 234 OG SER A 15 3.145 7.083 -3.590 1.00 0.00 O ATOM 0 H SER A 15 4.129 6.319 -1.175 1.00 0.00 H new ATOM 0 HA SER A 15 1.625 7.537 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.771 8.421 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.358 8.499 -2.121 1.00 0.00 H new ATOM 0 HG SER A 15 3.950 6.608 -3.295 1.00 0.00 H new ATOM 240 N LYS A 16 1.619 4.711 -2.357 1.00 0.00 N ATOM 241 CA LYS A 16 0.740 3.599 -2.698 1.00 0.00 C ATOM 242 C LYS A 16 -0.088 3.177 -1.481 1.00 0.00 C ATOM 243 O LYS A 16 -1.307 3.036 -1.573 1.00 0.00 O ATOM 244 CB LYS A 16 1.543 2.403 -3.217 1.00 0.00 C ATOM 245 CG LYS A 16 1.874 2.468 -4.699 1.00 0.00 C ATOM 246 CD LYS A 16 2.665 1.242 -5.135 1.00 0.00 C ATOM 247 CE LYS A 16 2.651 1.054 -6.646 1.00 0.00 C ATOM 248 NZ LYS A 16 3.252 2.206 -7.368 1.00 0.00 N ATOM 0 H LYS A 16 2.611 4.534 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 16 0.068 3.936 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.472 2.331 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.980 1.490 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.953 2.536 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.450 3.370 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.695 1.336 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.250 0.355 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.196 0.145 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.624 0.915 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.249 2.015 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.697 3.064 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.230 2.346 -7.045 1.00 0.00 H new ATOM 262 N ASN A 17 0.583 2.988 -0.345 1.00 0.00 N ATOM 263 CA ASN A 17 -0.084 2.608 0.898 1.00 0.00 C ATOM 264 C ASN A 17 -1.143 3.630 1.284 1.00 0.00 C ATOM 265 O ASN A 17 -2.307 3.287 1.457 1.00 0.00 O ATOM 266 CB ASN A 17 0.920 2.477 2.051 1.00 0.00 C ATOM 267 CG ASN A 17 1.944 1.377 1.844 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.561 0.323 1.145 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 3.069 1.472 2.323 1.00 0.00 N flip ATOM 0 H ASN A 17 1.594 3.093 -0.261 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.557 1.642 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.440 3.426 2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.375 2.285 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.328 2.302 2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.746 0.721 2.187 1.00 0.00 H new ATOM 276 N TYR A 18 -0.729 4.885 1.418 1.00 0.00 N ATOM 277 CA TYR A 18 -1.626 5.946 1.863 1.00 0.00 C ATOM 278 C TYR A 18 -2.775 6.181 0.883 1.00 0.00 C ATOM 279 O TYR A 18 -3.909 6.399 1.304 1.00 0.00 O ATOM 280 CB TYR A 18 -0.848 7.240 2.105 1.00 0.00 C ATOM 281 CG TYR A 18 0.171 7.128 3.219 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.166 6.542 4.433 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.465 7.604 3.058 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.757 6.431 5.454 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.395 7.497 4.074 1.00 0.00 C ATOM 286 CZ TYR A 18 2.037 6.910 5.269 1.00 0.00 C ATOM 287 OH TYR A 18 2.961 6.804 6.285 1.00 0.00 O ATOM 0 H TYR A 18 0.224 5.193 1.225 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.070 5.620 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.339 7.527 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.550 8.039 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.168 6.167 4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.749 8.065 2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.478 5.972 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.398 7.872 3.933 1.00 0.00 H new ATOM 0 HH TYR A 18 3.814 7.188 5.993 1.00 0.00 H new ATOM 297 N HIS A 19 -2.496 6.120 -0.417 1.00 0.00 N ATOM 298 CA HIS A 19 -3.549 6.298 -1.417 1.00 0.00 C ATOM 299 C HIS A 19 -4.578 5.183 -1.310 1.00 0.00 C ATOM 300 O HIS A 19 -5.783 5.437 -1.318 1.00 0.00 O ATOM 301 CB HIS A 19 -2.982 6.339 -2.839 1.00 0.00 C ATOM 302 CG HIS A 19 -2.310 7.631 -3.187 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.232 7.716 -4.043 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.575 8.901 -2.796 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.865 8.978 -4.162 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.664 9.715 -3.417 1.00 0.00 N ATOM 0 H HIS A 19 -1.566 5.952 -0.800 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.028 7.256 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.267 5.525 -2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.791 6.159 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.358 9.213 -2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.049 9.344 -4.767 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.613 10.729 -3.318 1.00 0.00 H new ATOM 315 N LEU A 20 -4.099 3.955 -1.197 1.00 0.00 N ATOM 316 CA LEU A 20 -4.977 2.803 -1.049 1.00 0.00 C ATOM 317 C LEU A 20 -5.691 2.837 0.299 1.00 0.00 C ATOM 318 O LEU A 20 -6.854 2.445 0.406 1.00 0.00 O ATOM 319 CB LEU A 20 -4.180 1.506 -1.194 1.00 0.00 C ATOM 320 CG LEU A 20 -4.189 0.862 -2.588 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.568 0.327 -2.922 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.746 1.851 -3.654 1.00 0.00 C ATOM 0 H LEU A 20 -3.104 3.729 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.729 2.843 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.146 1.706 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.569 0.782 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.481 0.033 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.553 -0.125 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.855 -0.423 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.289 1.144 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.763 1.366 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.423 2.705 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.734 2.192 -3.436 1.00 0.00 H new ATOM 334 N GLU A 21 -4.994 3.322 1.321 1.00 0.00 N ATOM 335 CA GLU A 21 -5.572 3.456 2.654 1.00 0.00 C ATOM 336 C GLU A 21 -6.768 4.403 2.620 1.00 0.00 C ATOM 337 O GLU A 21 -7.815 4.131 3.217 1.00 0.00 O ATOM 338 CB GLU A 21 -4.515 3.973 3.634 1.00 0.00 C ATOM 339 CG GLU A 21 -4.968 3.984 5.084 1.00 0.00 C ATOM 340 CD GLU A 21 -3.903 4.525 6.019 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.084 5.642 6.541 1.00 0.00 O ATOM 342 OE2 GLU A 21 -2.881 3.835 6.219 1.00 0.00 O ATOM 0 H GLU A 21 -4.024 3.630 1.251 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.914 2.477 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.622 3.354 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.231 4.985 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.870 4.590 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.233 2.971 5.387 1.00 0.00 H new ATOM 349 N ASN A 22 -6.607 5.510 1.905 1.00 0.00 N ATOM 350 CA ASN A 22 -7.681 6.483 1.739 1.00 0.00 C ATOM 351 C ASN A 22 -8.770 5.928 0.828 1.00 0.00 C ATOM 352 O ASN A 22 -9.933 6.331 0.903 1.00 0.00 O ATOM 353 CB ASN A 22 -7.139 7.795 1.161 1.00 0.00 C ATOM 354 CG ASN A 22 -6.343 8.596 2.175 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.738 8.043 3.093 1.00 0.00 O ATOM 356 ND2 ASN A 22 -6.338 9.909 2.016 1.00 0.00 N ATOM 0 H ASN A 22 -5.739 5.757 1.429 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.109 6.683 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.507 7.575 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.971 8.399 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.820 10.500 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.852 10.331 1.242 1.00 0.00 H new ATOM 363 N GLU A 23 -8.382 4.980 -0.016 1.00 0.00 N ATOM 364 CA GLU A 23 -9.284 4.390 -0.994 1.00 0.00 C ATOM 365 C GLU A 23 -10.260 3.426 -0.318 1.00 0.00 C ATOM 366 O GLU A 23 -11.441 3.391 -0.657 1.00 0.00 O ATOM 367 CB GLU A 23 -8.471 3.670 -2.076 1.00 0.00 C ATOM 368 CG GLU A 23 -9.290 3.201 -3.268 1.00 0.00 C ATOM 369 CD GLU A 23 -9.858 4.342 -4.089 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.098 4.944 -4.875 1.00 0.00 O ATOM 371 OE2 GLU A 23 -11.066 4.627 -3.952 1.00 0.00 O ATOM 0 H GLU A 23 -7.436 4.600 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.869 5.183 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.687 4.339 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.976 2.808 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.665 2.578 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.108 2.574 -2.914 1.00 0.00 H new ATOM 378 N VAL A 24 -9.773 2.652 0.645 1.00 0.00 N ATOM 379 CA VAL A 24 -10.640 1.741 1.387 1.00 0.00 C ATOM 380 C VAL A 24 -11.573 2.524 2.304 1.00 0.00 C ATOM 381 O VAL A 24 -12.744 2.179 2.456 1.00 0.00 O ATOM 382 CB VAL A 24 -9.842 0.719 2.232 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.779 -0.278 2.904 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.827 -0.009 1.375 1.00 0.00 C ATOM 0 H VAL A 24 -8.793 2.635 0.929 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.217 1.188 0.646 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.309 1.268 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.195 -0.986 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.469 0.255 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.343 -0.817 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.277 -0.722 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.341 -0.540 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.131 0.711 0.944 1.00 0.00 H new ATOM 394 N ALA A 25 -11.056 3.599 2.888 1.00 0.00 N ATOM 395 CA ALA A 25 -11.824 4.394 3.842 1.00 0.00 C ATOM 396 C ALA A 25 -13.061 5.013 3.200 1.00 0.00 C ATOM 397 O ALA A 25 -14.132 5.037 3.805 1.00 0.00 O ATOM 398 CB ALA A 25 -10.957 5.477 4.459 1.00 0.00 C ATOM 0 H ALA A 25 -10.110 3.941 2.719 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.160 3.718 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.549 6.058 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.117 5.018 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.582 6.134 3.674 1.00 0.00 H new ATOM 404 N ARG A 26 -12.918 5.504 1.973 1.00 0.00 N ATOM 405 CA ARG A 26 -14.036 6.117 1.279 1.00 0.00 C ATOM 406 C ARG A 26 -15.114 5.092 0.953 1.00 0.00 C ATOM 407 O ARG A 26 -16.300 5.350 1.157 1.00 0.00 O ATOM 408 CB ARG A 26 -13.575 6.848 0.015 1.00 0.00 C ATOM 409 CG ARG A 26 -12.599 6.080 -0.858 1.00 0.00 C ATOM 410 CD ARG A 26 -12.151 6.915 -2.044 1.00 0.00 C ATOM 411 NE ARG A 26 -13.272 7.344 -2.879 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.135 7.881 -4.091 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.925 8.069 -4.606 1.00 0.00 N ATOM 414 NH2 ARG A 26 -14.206 8.248 -4.780 1.00 0.00 N ATOM 0 H ARG A 26 -12.045 5.488 1.446 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.471 6.857 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.453 7.097 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.111 7.790 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.731 5.787 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.068 5.162 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.613 7.792 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.452 6.337 -2.648 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.216 7.225 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.097 7.802 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.824 8.480 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.137 8.120 -4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.100 8.659 -5.707 1.00 0.00 H new ATOM 428 N LEU A 27 -14.711 3.925 0.462 1.00 0.00 N ATOM 429 CA LEU A 27 -15.671 2.862 0.174 1.00 0.00 C ATOM 430 C LEU A 27 -16.332 2.369 1.451 1.00 0.00 C ATOM 431 O LEU A 27 -17.503 2.004 1.443 1.00 0.00 O ATOM 432 CB LEU A 27 -15.030 1.679 -0.557 1.00 0.00 C ATOM 433 CG LEU A 27 -14.876 1.833 -2.074 1.00 0.00 C ATOM 434 CD1 LEU A 27 -14.032 3.044 -2.437 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.283 0.575 -2.677 1.00 0.00 C ATOM 0 H LEU A 27 -13.740 3.691 0.257 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.424 3.296 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.044 1.503 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.627 0.789 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.871 1.990 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.948 3.117 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.504 3.946 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.038 2.938 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.181 0.702 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.303 0.389 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.939 -0.271 -2.472 1.00 0.00 H new ATOM 447 N LYS A 28 -15.579 2.359 2.545 1.00 0.00 N ATOM 448 CA LYS A 28 -16.119 1.971 3.841 1.00 0.00 C ATOM 449 C LYS A 28 -17.336 2.826 4.190 1.00 0.00 C ATOM 450 O LYS A 28 -18.329 2.328 4.725 1.00 0.00 O ATOM 451 CB LYS A 28 -15.045 2.108 4.924 1.00 0.00 C ATOM 452 CG LYS A 28 -15.447 1.523 6.270 1.00 0.00 C ATOM 453 CD LYS A 28 -15.663 0.020 6.182 1.00 0.00 C ATOM 454 CE LYS A 28 -16.065 -0.566 7.525 1.00 0.00 C ATOM 455 NZ LYS A 28 -16.286 -2.033 7.445 1.00 0.00 N ATOM 0 H LYS A 28 -14.592 2.616 2.559 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.433 0.928 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.134 1.616 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.807 3.164 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.673 1.738 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.361 2.003 6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.436 -0.195 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.748 -0.460 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.288 -0.355 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.976 -0.080 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.559 -2.395 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.045 -2.233 6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.410 -2.500 7.135 1.00 0.00 H new ATOM 469 N LYS A 29 -17.261 4.113 3.864 1.00 0.00 N ATOM 470 CA LYS A 29 -18.358 5.028 4.108 1.00 0.00 C ATOM 471 C LYS A 29 -19.435 4.889 3.039 1.00 0.00 C ATOM 472 O LYS A 29 -20.595 5.208 3.278 1.00 0.00 O ATOM 473 CB LYS A 29 -17.848 6.464 4.146 1.00 0.00 C ATOM 474 CG LYS A 29 -16.812 6.719 5.231 1.00 0.00 C ATOM 475 CD LYS A 29 -17.371 6.444 6.618 1.00 0.00 C ATOM 476 CE LYS A 29 -16.331 6.683 7.700 1.00 0.00 C ATOM 477 NZ LYS A 29 -15.861 8.093 7.725 1.00 0.00 N ATOM 0 H LYS A 29 -16.445 4.542 3.428 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.798 4.777 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.414 6.711 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.693 7.136 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.941 6.087 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.472 7.753 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.235 7.084 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.722 5.413 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.754 6.425 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.481 6.021 7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.300 8.257 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.273 8.278 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.681 8.732 7.720 1.00 0.00 H new ATOM 491 N LEU A 30 -19.051 4.415 1.862 1.00 0.00 N ATOM 492 CA LEU A 30 -20.010 4.178 0.791 1.00 0.00 C ATOM 493 C LEU A 30 -20.857 2.953 1.106 1.00 0.00 C ATOM 494 O LEU A 30 -22.035 2.895 0.758 1.00 0.00 O ATOM 495 CB LEU A 30 -19.300 3.989 -0.552 1.00 0.00 C ATOM 496 CG LEU A 30 -18.499 5.195 -1.049 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.842 4.884 -2.385 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.390 6.421 -1.167 1.00 0.00 C ATOM 0 H LEU A 30 -18.085 4.187 1.624 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.656 5.053 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.626 3.136 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.046 3.735 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.717 5.409 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.277 5.752 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.168 4.035 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.609 4.642 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.800 7.266 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.196 6.219 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.814 6.658 -0.191 1.00 0.00 H new ATOM 510 N VAL A 31 -20.244 1.976 1.762 1.00 0.00 N ATOM 511 CA VAL A 31 -20.954 0.781 2.199 1.00 0.00 C ATOM 512 C VAL A 31 -21.824 1.101 3.414 1.00 0.00 C ATOM 513 O VAL A 31 -22.872 0.485 3.626 1.00 0.00 O ATOM 514 CB VAL A 31 -19.972 -0.372 2.540 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.720 -1.617 2.991 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.090 -0.696 1.347 1.00 0.00 C ATOM 0 H VAL A 31 -19.253 1.988 2.004 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.588 0.451 1.376 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.341 -0.036 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.005 -2.407 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.307 -1.387 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.384 -1.951 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.409 -1.507 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.713 -1.001 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.514 0.187 1.070 1.00 0.00 H new ATOM 526 N GLY A 32 -21.399 2.094 4.189 1.00 0.00 N ATOM 527 CA GLY A 32 -22.122 2.465 5.388 1.00 0.00 C ATOM 528 C GLY A 32 -23.236 3.453 5.110 1.00 0.00 C ATOM 529 O GLY A 32 -24.341 3.305 5.631 1.00 0.00 O ATOM 0 H GLY A 32 -20.563 2.649 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.541 1.570 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.428 2.898 6.108 1.00 0.00 H new ATOM 533 N GLU A 33 -22.938 4.459 4.288 1.00 0.00 N ATOM 534 CA GLU A 33 -23.898 5.500 3.926 1.00 0.00 C ATOM 535 C GLU A 33 -24.288 6.317 5.153 1.00 0.00 C ATOM 536 O GLU A 33 -23.465 7.147 5.595 1.00 0.00 O ATOM 537 CB GLU A 33 -25.142 4.900 3.259 1.00 0.00 C ATOM 538 CG GLU A 33 -24.852 4.194 1.945 1.00 0.00 C ATOM 539 CD GLU A 33 -26.094 3.589 1.322 1.00 0.00 C ATOM 540 OE1 GLU A 33 -26.387 2.409 1.606 1.00 0.00 O ATOM 541 OE2 GLU A 33 -26.774 4.296 0.547 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.408 6.130 5.674 1.00 0.00 O ATOM 0 H GLU A 33 -22.022 4.575 3.854 1.00 0.00 H new ATOM 0 HA GLU A 33 -23.419 6.163 3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -25.606 4.193 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.867 5.694 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.408 4.903 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.115 3.409 2.114 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 24.837 -7.130 5.469 1.00 0.00 N ATOM 551 CA GLY B 1 24.579 -5.990 4.557 1.00 0.00 C ATOM 552 C GLY B 1 23.189 -5.424 4.745 1.00 0.00 C ATOM 553 O GLY B 1 22.273 -6.144 5.144 1.00 0.00 O ATOM 0 H1 GLY B 1 25.477 -6.827 6.231 1.00 0.00 H new ATOM 0 H2 GLY B 1 23.939 -7.456 5.880 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.277 -7.908 4.937 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.317 -5.208 4.735 1.00 0.00 H new ATOM 0 HA3 GLY B 1 24.702 -6.316 3.524 1.00 0.00 H new ATOM 559 N SER B 2 23.026 -4.140 4.458 1.00 0.00 N ATOM 560 CA SER B 2 21.744 -3.472 4.640 1.00 0.00 C ATOM 561 C SER B 2 20.782 -3.814 3.506 1.00 0.00 C ATOM 562 O SER B 2 19.571 -3.901 3.715 1.00 0.00 O ATOM 563 CB SER B 2 21.948 -1.958 4.719 1.00 0.00 C ATOM 564 OG SER B 2 22.844 -1.619 5.764 1.00 0.00 O ATOM 0 H SER B 2 23.767 -3.539 4.097 1.00 0.00 H new ATOM 0 HA SER B 2 21.306 -3.823 5.574 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.336 -1.590 3.769 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.989 -1.467 4.884 1.00 0.00 H new ATOM 0 HG SER B 2 22.959 -0.646 5.793 1.00 0.00 H new ATOM 570 N MET B 3 21.336 -4.038 2.317 1.00 0.00 N ATOM 571 CA MET B 3 20.535 -4.317 1.126 1.00 0.00 C ATOM 572 C MET B 3 19.642 -5.535 1.321 1.00 0.00 C ATOM 573 O MET B 3 18.517 -5.566 0.822 1.00 0.00 O ATOM 574 CB MET B 3 21.436 -4.525 -0.093 1.00 0.00 C ATOM 575 CG MET B 3 21.925 -3.232 -0.723 1.00 0.00 C ATOM 576 SD MET B 3 20.567 -2.221 -1.342 1.00 0.00 S ATOM 577 CE MET B 3 21.459 -0.865 -2.104 1.00 0.00 C ATOM 0 H MET B 3 22.342 -4.032 2.151 1.00 0.00 H new ATOM 0 HA MET B 3 19.895 -3.451 0.956 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.298 -5.123 0.202 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.891 -5.100 -0.842 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.493 -2.663 0.013 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.606 -3.464 -1.542 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.749 -0.157 -2.531 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.066 -0.361 -1.352 1.00 0.00 H new ATOM 0 HE3 MET B 3 22.105 -1.252 -2.892 1.00 0.00 H new ATOM 587 N LYS B 4 20.146 -6.526 2.048 1.00 0.00 N ATOM 588 CA LYS B 4 19.400 -7.750 2.321 1.00 0.00 C ATOM 589 C LYS B 4 18.022 -7.434 2.904 1.00 0.00 C ATOM 590 O LYS B 4 16.994 -7.812 2.341 1.00 0.00 O ATOM 591 CB LYS B 4 20.189 -8.635 3.291 1.00 0.00 C ATOM 592 CG LYS B 4 19.533 -9.975 3.587 1.00 0.00 C ATOM 593 CD LYS B 4 19.451 -10.844 2.342 1.00 0.00 C ATOM 594 CE LYS B 4 18.870 -12.214 2.652 1.00 0.00 C ATOM 595 NZ LYS B 4 17.471 -12.133 3.151 1.00 0.00 N ATOM 0 H LYS B 4 21.078 -6.505 2.463 1.00 0.00 H new ATOM 0 HA LYS B 4 19.258 -8.282 1.380 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.182 -8.813 2.877 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.326 -8.095 4.228 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.100 -10.496 4.359 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.531 -9.811 3.984 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.835 -10.348 1.592 1.00 0.00 H new ATOM 0 HD3 LYS B 4 20.446 -10.959 1.912 1.00 0.00 H new ATOM 0 HE2 LYS B 4 18.898 -12.830 1.753 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.491 -12.710 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 17.065 -13.089 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 17.464 -11.701 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 16.904 -11.552 2.501 1.00 0.00 H new ATOM 609 N GLN B 5 18.006 -6.720 4.021 1.00 0.00 N ATOM 610 CA GLN B 5 16.758 -6.399 4.703 1.00 0.00 C ATOM 611 C GLN B 5 15.993 -5.320 3.950 1.00 0.00 C ATOM 612 O GLN B 5 14.765 -5.313 3.942 1.00 0.00 O ATOM 613 CB GLN B 5 17.014 -5.929 6.141 1.00 0.00 C ATOM 614 CG GLN B 5 17.716 -6.956 7.023 1.00 0.00 C ATOM 615 CD GLN B 5 19.199 -7.086 6.724 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.829 -5.988 6.336 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 19.780 -8.160 6.865 1.00 0.00 N flip ATOM 0 H GLN B 5 18.842 -6.352 4.475 1.00 0.00 H new ATOM 0 HA GLN B 5 16.161 -7.311 4.732 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.616 -5.021 6.112 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.061 -5.665 6.599 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.586 -6.677 8.069 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.238 -7.927 6.890 1.00 0.00 H new ATOM 0 HE21 GLN B 5 19.261 -8.985 7.166 1.00 0.00 H new ATOM 0 HE22 GLN B 5 20.781 -8.226 6.681 1.00 0.00 H new ATOM 626 N LEU B 6 16.726 -4.419 3.309 1.00 0.00 N ATOM 627 CA LEU B 6 16.116 -3.295 2.609 1.00 0.00 C ATOM 628 C LEU B 6 15.313 -3.776 1.401 1.00 0.00 C ATOM 629 O LEU B 6 14.239 -3.250 1.110 1.00 0.00 O ATOM 630 CB LEU B 6 17.190 -2.291 2.184 1.00 0.00 C ATOM 631 CG LEU B 6 16.670 -0.953 1.656 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.736 -0.300 2.662 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.832 -0.028 1.352 1.00 0.00 C ATOM 0 H LEU B 6 17.744 -4.444 3.259 1.00 0.00 H new ATOM 0 HA LEU B 6 15.427 -2.797 3.291 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.839 -2.097 3.038 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.807 -2.751 1.412 1.00 0.00 H new ATOM 0 HG LEU B 6 16.111 -1.140 0.739 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.379 0.650 2.264 1.00 0.00 H new ATOM 0 HD12 LEU B 6 14.887 -0.957 2.849 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.272 -0.124 3.595 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.452 0.922 0.977 1.00 0.00 H new ATOM 0 HD22 LEU B 6 18.407 0.145 2.262 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.474 -0.485 0.599 1.00 0.00 H new ATOM 645 N GLU B 7 15.822 -4.792 0.711 1.00 0.00 N ATOM 646 CA GLU B 7 15.092 -5.383 -0.405 1.00 0.00 C ATOM 647 C GLU B 7 13.846 -6.100 0.098 1.00 0.00 C ATOM 648 O GLU B 7 12.810 -6.107 -0.568 1.00 0.00 O ATOM 649 CB GLU B 7 15.973 -6.353 -1.200 1.00 0.00 C ATOM 650 CG GLU B 7 16.663 -5.722 -2.401 1.00 0.00 C ATOM 651 CD GLU B 7 17.711 -4.692 -2.025 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.334 -3.541 -1.720 1.00 0.00 O ATOM 653 OE2 GLU B 7 18.910 -5.036 -2.047 1.00 0.00 O ATOM 0 H GLU B 7 16.728 -5.220 0.902 1.00 0.00 H new ATOM 0 HA GLU B 7 14.794 -4.574 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.731 -6.767 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.360 -7.186 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.133 -6.507 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.912 -5.250 -3.035 1.00 0.00 H new ATOM 660 N ASP B 8 13.948 -6.694 1.279 1.00 0.00 N ATOM 661 CA ASP B 8 12.803 -7.353 1.893 1.00 0.00 C ATOM 662 C ASP B 8 11.788 -6.321 2.360 1.00 0.00 C ATOM 663 O ASP B 8 10.588 -6.574 2.344 1.00 0.00 O ATOM 664 CB ASP B 8 13.228 -8.234 3.069 1.00 0.00 C ATOM 665 CG ASP B 8 13.831 -9.555 2.629 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.057 -9.727 2.778 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.073 -10.415 2.133 1.00 0.00 O ATOM 0 H ASP B 8 14.806 -6.733 1.829 1.00 0.00 H new ATOM 0 HA ASP B 8 12.346 -7.993 1.138 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.953 -7.694 3.678 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.362 -8.428 3.702 1.00 0.00 H new ATOM 672 N LYS B 9 12.282 -5.151 2.758 1.00 0.00 N ATOM 673 CA LYS B 9 11.427 -4.064 3.224 1.00 0.00 C ATOM 674 C LYS B 9 10.471 -3.618 2.121 1.00 0.00 C ATOM 675 O LYS B 9 9.274 -3.462 2.352 1.00 0.00 O ATOM 676 CB LYS B 9 12.276 -2.880 3.698 1.00 0.00 C ATOM 677 CG LYS B 9 11.459 -1.742 4.288 1.00 0.00 C ATOM 678 CD LYS B 9 12.347 -0.610 4.781 1.00 0.00 C ATOM 679 CE LYS B 9 11.526 0.500 5.416 1.00 0.00 C ATOM 680 NZ LYS B 9 12.380 1.600 5.937 1.00 0.00 N ATOM 0 H LYS B 9 13.278 -4.931 2.767 1.00 0.00 H new ATOM 0 HA LYS B 9 10.838 -4.431 4.064 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.988 -3.230 4.445 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.857 -2.501 2.857 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.768 -1.362 3.536 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.855 -2.117 5.114 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.063 -0.996 5.507 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.923 -0.208 3.948 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.829 0.901 4.680 1.00 0.00 H new ATOM 0 HE3 LYS B 9 10.929 0.089 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.779 2.335 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.028 1.224 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.931 2.011 5.157 1.00 0.00 H new ATOM 694 N VAL B 10 11.004 -3.430 0.920 1.00 0.00 N ATOM 695 CA VAL B 10 10.186 -3.049 -0.228 1.00 0.00 C ATOM 696 C VAL B 10 9.155 -4.134 -0.531 1.00 0.00 C ATOM 697 O VAL B 10 7.998 -3.843 -0.833 1.00 0.00 O ATOM 698 CB VAL B 10 11.055 -2.795 -1.478 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.197 -2.378 -2.663 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.110 -1.742 -1.184 1.00 0.00 C ATOM 0 H VAL B 10 11.998 -3.535 0.714 1.00 0.00 H new ATOM 0 HA VAL B 10 9.671 -2.123 0.027 1.00 0.00 H new ATOM 0 HB VAL B 10 11.557 -3.727 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL B 10 10.834 -2.205 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.481 -3.168 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL B 10 9.660 -1.461 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.715 -1.574 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.624 -0.810 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL B 10 12.750 -2.085 -0.371 1.00 0.00 H new ATOM 710 N GLU B 11 9.579 -5.389 -0.423 1.00 0.00 N ATOM 711 CA GLU B 11 8.682 -6.521 -0.627 1.00 0.00 C ATOM 712 C GLU B 11 7.600 -6.543 0.449 1.00 0.00 C ATOM 713 O GLU B 11 6.460 -6.927 0.189 1.00 0.00 O ATOM 714 CB GLU B 11 9.466 -7.831 -0.621 1.00 0.00 C ATOM 715 CG GLU B 11 10.483 -7.926 -1.743 1.00 0.00 C ATOM 716 CD GLU B 11 11.293 -9.204 -1.691 1.00 0.00 C ATOM 717 OE1 GLU B 11 12.264 -9.256 -0.912 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.959 -10.148 -2.433 1.00 0.00 O ATOM 0 H GLU B 11 10.539 -5.648 -0.195 1.00 0.00 H new ATOM 0 HA GLU B 11 8.202 -6.411 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU B 11 9.979 -7.935 0.335 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.768 -8.665 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.967 -7.866 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.157 -7.071 -1.690 1.00 0.00 H new ATOM 725 N GLU B 12 7.967 -6.140 1.658 1.00 0.00 N ATOM 726 CA GLU B 12 6.998 -5.979 2.734 1.00 0.00 C ATOM 727 C GLU B 12 5.889 -5.008 2.331 1.00 0.00 C ATOM 728 O GLU B 12 4.712 -5.304 2.496 1.00 0.00 O ATOM 729 CB GLU B 12 7.679 -5.496 4.017 1.00 0.00 C ATOM 730 CG GLU B 12 8.544 -6.547 4.686 1.00 0.00 C ATOM 731 CD GLU B 12 7.739 -7.722 5.202 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.293 -7.668 6.365 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.551 -8.694 4.441 1.00 0.00 O ATOM 0 H GLU B 12 8.928 -5.919 1.918 1.00 0.00 H new ATOM 0 HA GLU B 12 6.552 -6.955 2.925 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.294 -4.627 3.785 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.915 -5.167 4.721 1.00 0.00 H new ATOM 0 HG2 GLU B 12 9.289 -6.906 3.975 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.087 -6.092 5.514 1.00 0.00 H new ATOM 740 N LEU B 13 6.256 -3.854 1.790 1.00 0.00 N ATOM 741 CA LEU B 13 5.248 -2.890 1.351 1.00 0.00 C ATOM 742 C LEU B 13 4.435 -3.399 0.168 1.00 0.00 C ATOM 743 O LEU B 13 3.316 -2.936 -0.048 1.00 0.00 O ATOM 744 CB LEU B 13 5.838 -1.513 1.038 1.00 0.00 C ATOM 745 CG LEU B 13 6.099 -0.659 2.272 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.350 -1.115 3.005 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.201 0.805 1.891 1.00 0.00 C ATOM 0 H LEU B 13 7.223 -3.563 1.645 1.00 0.00 H new ATOM 0 HA LEU B 13 4.574 -2.773 2.200 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.774 -1.644 0.494 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.157 -0.979 0.376 1.00 0.00 H new ATOM 0 HG LEU B 13 5.256 -0.782 2.951 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.508 -0.485 3.881 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.230 -2.151 3.320 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.210 -1.036 2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.388 1.401 2.784 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.021 0.941 1.186 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.268 1.126 1.429 1.00 0.00 H new ATOM 759 N LEU B 14 4.975 -4.349 -0.589 1.00 0.00 N ATOM 760 CA LEU B 14 4.191 -5.003 -1.629 1.00 0.00 C ATOM 761 C LEU B 14 2.991 -5.699 -1.013 1.00 0.00 C ATOM 762 O LEU B 14 1.883 -5.612 -1.540 1.00 0.00 O ATOM 763 CB LEU B 14 5.016 -6.027 -2.415 1.00 0.00 C ATOM 764 CG LEU B 14 6.050 -5.471 -3.421 1.00 0.00 C ATOM 765 CD1 LEU B 14 6.226 -6.430 -4.597 1.00 0.00 C ATOM 766 CD2 LEU B 14 5.661 -4.096 -3.946 1.00 0.00 C ATOM 0 H LEU B 14 5.937 -4.679 -0.504 1.00 0.00 H new ATOM 0 HA LEU B 14 3.864 -4.228 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.544 -6.657 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU B 14 4.326 -6.672 -2.960 1.00 0.00 H new ATOM 0 HG LEU B 14 6.992 -5.373 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.958 -6.021 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU B 14 6.575 -7.395 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.272 -6.559 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.418 -3.747 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.697 -4.159 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.589 -3.396 -3.114 1.00 0.00 H new ATOM 778 N SER B 15 3.201 -6.374 0.111 1.00 0.00 N ATOM 779 CA SER B 15 2.099 -7.042 0.781 1.00 0.00 C ATOM 780 C SER B 15 1.104 -6.004 1.287 1.00 0.00 C ATOM 781 O SER B 15 -0.101 -6.229 1.238 1.00 0.00 O ATOM 782 CB SER B 15 2.586 -7.947 1.920 1.00 0.00 C ATOM 783 OG SER B 15 3.120 -7.202 2.997 1.00 0.00 O ATOM 0 H SER B 15 4.107 -6.471 0.569 1.00 0.00 H new ATOM 0 HA SER B 15 1.601 -7.690 0.060 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.757 -8.558 2.277 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.345 -8.631 1.540 1.00 0.00 H new ATOM 0 HG SER B 15 3.430 -6.331 2.671 1.00 0.00 H new ATOM 789 N LYS B 16 1.606 -4.854 1.755 1.00 0.00 N ATOM 790 CA LYS B 16 0.732 -3.737 2.095 1.00 0.00 C ATOM 791 C LYS B 16 -0.098 -3.319 0.881 1.00 0.00 C ATOM 792 O LYS B 16 -1.316 -3.173 0.979 1.00 0.00 O ATOM 793 CB LYS B 16 1.540 -2.542 2.605 1.00 0.00 C ATOM 794 CG LYS B 16 1.878 -2.602 4.087 1.00 0.00 C ATOM 795 CD LYS B 16 2.673 -1.378 4.514 1.00 0.00 C ATOM 796 CE LYS B 16 2.664 -1.188 6.024 1.00 0.00 C ATOM 797 NZ LYS B 16 3.262 -2.342 6.747 1.00 0.00 N ATOM 0 H LYS B 16 2.600 -4.679 1.903 1.00 0.00 H new ATOM 0 HA LYS B 16 0.063 -4.067 2.889 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.467 -2.475 2.035 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.979 -1.628 2.409 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.960 -2.666 4.671 1.00 0.00 H new ATOM 0 HG3 LYS B 16 2.452 -3.504 4.297 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.702 -1.475 4.167 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.258 -0.491 4.035 1.00 0.00 H new ATOM 0 HE2 LYS B 16 3.214 -0.281 6.276 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.638 -1.043 6.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 3.278 -2.142 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 2.693 -3.195 6.571 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 4.233 -2.498 6.409 1.00 0.00 H new ATOM 811 N ASN B 17 0.567 -3.139 -0.261 1.00 0.00 N ATOM 812 CA ASN B 17 -0.106 -2.764 -1.502 1.00 0.00 C ATOM 813 C ASN B 17 -1.169 -3.785 -1.876 1.00 0.00 C ATOM 814 O ASN B 17 -2.335 -3.439 -2.037 1.00 0.00 O ATOM 815 CB ASN B 17 0.894 -2.641 -2.661 1.00 0.00 C ATOM 816 CG ASN B 17 1.923 -1.542 -2.466 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.549 -0.483 -1.766 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 3.045 -1.640 -2.955 1.00 0.00 N flip ATOM 0 H ASN B 17 1.577 -3.248 -0.350 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.577 -1.796 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.411 -3.592 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.345 -2.453 -3.584 1.00 0.00 H new ATOM 0 HD21 ASN B 17 3.298 -2.472 -3.489 1.00 0.00 H new ATOM 0 HD22 ASN B 17 3.724 -0.890 -2.827 1.00 0.00 H new ATOM 825 N TYR B 18 -0.760 -5.042 -2.008 1.00 0.00 N ATOM 826 CA TYR B 18 -1.665 -6.103 -2.443 1.00 0.00 C ATOM 827 C TYR B 18 -2.810 -6.329 -1.455 1.00 0.00 C ATOM 828 O TYR B 18 -3.945 -6.553 -1.870 1.00 0.00 O ATOM 829 CB TYR B 18 -0.893 -7.404 -2.681 1.00 0.00 C ATOM 830 CG TYR B 18 0.119 -7.298 -3.801 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.223 -6.717 -5.018 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.414 -7.776 -3.646 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.693 -6.611 -6.042 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.337 -7.675 -4.669 1.00 0.00 C ATOM 835 CZ TYR B 18 1.971 -7.092 -5.865 1.00 0.00 C ATOM 836 OH TYR B 18 2.886 -6.983 -6.886 1.00 0.00 O ATOM 0 H TYR B 18 0.193 -5.353 -1.820 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.112 -5.780 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.380 -7.688 -1.762 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.599 -8.201 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.225 -6.342 -5.163 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.704 -8.234 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.410 -6.153 -6.978 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.340 -8.051 -4.533 1.00 0.00 H new ATOM 0 HH TYR B 18 3.741 -7.369 -6.602 1.00 0.00 H new ATOM 846 N HIS B 19 -2.524 -6.262 -0.158 1.00 0.00 N ATOM 847 CA HIS B 19 -3.573 -6.430 0.850 1.00 0.00 C ATOM 848 C HIS B 19 -4.600 -5.315 0.743 1.00 0.00 C ATOM 849 O HIS B 19 -5.804 -5.563 0.757 1.00 0.00 O ATOM 850 CB HIS B 19 -2.998 -6.467 2.269 1.00 0.00 C ATOM 851 CG HIS B 19 -2.331 -7.760 2.618 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.252 -7.845 3.471 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.606 -9.029 2.233 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.892 -9.108 3.594 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.698 -9.845 2.855 1.00 0.00 N ATOM 0 H HIS B 19 -1.591 -6.095 0.219 1.00 0.00 H new ATOM 0 HA HIS B 19 -4.056 -7.387 0.655 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.278 -5.656 2.380 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.802 -6.280 2.981 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.393 -9.339 1.562 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.076 -9.476 4.198 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -1.653 -10.860 2.761 1.00 0.00 H new ATOM 864 N LEU B 20 -4.116 -4.088 0.618 1.00 0.00 N ATOM 865 CA LEU B 20 -4.991 -2.934 0.468 1.00 0.00 C ATOM 866 C LEU B 20 -5.712 -2.971 -0.877 1.00 0.00 C ATOM 867 O LEU B 20 -6.873 -2.573 -0.981 1.00 0.00 O ATOM 868 CB LEU B 20 -4.188 -1.639 0.602 1.00 0.00 C ATOM 869 CG LEU B 20 -4.189 -0.990 1.994 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.567 -0.451 2.332 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.743 -1.975 3.062 1.00 0.00 C ATOM 0 H LEU B 20 -3.121 -3.865 0.617 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.740 -2.968 1.259 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.156 -1.843 0.319 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.578 -0.916 -0.115 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.479 -0.163 1.972 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.547 0.005 3.322 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.856 0.297 1.594 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.289 -1.267 2.323 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.754 -1.486 4.036 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.422 -2.828 3.077 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.733 -2.319 2.841 1.00 0.00 H new ATOM 883 N GLU B 21 -5.021 -3.462 -1.900 1.00 0.00 N ATOM 884 CA GLU B 21 -5.605 -3.604 -3.229 1.00 0.00 C ATOM 885 C GLU B 21 -6.801 -4.551 -3.181 1.00 0.00 C ATOM 886 O GLU B 21 -7.850 -4.285 -3.770 1.00 0.00 O ATOM 887 CB GLU B 21 -4.553 -4.127 -4.211 1.00 0.00 C ATOM 888 CG GLU B 21 -5.012 -4.142 -5.660 1.00 0.00 C ATOM 889 CD GLU B 21 -3.953 -4.692 -6.597 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.144 -5.809 -7.118 1.00 0.00 O ATOM 891 OE2 GLU B 21 -2.929 -4.008 -6.803 1.00 0.00 O ATOM 0 H GLU B 21 -4.051 -3.770 -1.834 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.948 -2.627 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.658 -3.510 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.270 -5.139 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.917 -4.744 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.273 -3.129 -5.966 1.00 0.00 H new ATOM 898 N ASN B 22 -6.638 -5.655 -2.462 1.00 0.00 N ATOM 899 CA ASN B 22 -7.716 -6.624 -2.286 1.00 0.00 C ATOM 900 C ASN B 22 -8.800 -6.062 -1.374 1.00 0.00 C ATOM 901 O ASN B 22 -9.963 -6.465 -1.445 1.00 0.00 O ATOM 902 CB ASN B 22 -7.175 -7.934 -1.709 1.00 0.00 C ATOM 903 CG ASN B 22 -6.390 -8.739 -2.727 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.799 -8.187 -3.654 1.00 0.00 O ATOM 905 ND2 ASN B 22 -6.378 -10.049 -2.562 1.00 0.00 N ATOM 0 H ASN B 22 -5.768 -5.903 -1.990 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.152 -6.826 -3.265 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.536 -7.714 -0.854 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.006 -8.534 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.866 -10.641 -3.216 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -6.881 -10.469 -1.780 1.00 0.00 H new ATOM 912 N GLU B 23 -8.406 -5.111 -0.538 1.00 0.00 N ATOM 913 CA GLU B 23 -9.302 -4.514 0.439 1.00 0.00 C ATOM 914 C GLU B 23 -10.277 -3.548 -0.237 1.00 0.00 C ATOM 915 O GLU B 23 -11.454 -3.503 0.111 1.00 0.00 O ATOM 916 CB GLU B 23 -8.484 -3.791 1.514 1.00 0.00 C ATOM 917 CG GLU B 23 -9.297 -3.314 2.706 1.00 0.00 C ATOM 918 CD GLU B 23 -9.864 -4.450 3.535 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.100 -5.050 4.318 1.00 0.00 O ATOM 920 OE2 GLU B 23 -11.073 -4.730 3.410 1.00 0.00 O ATOM 0 H GLU B 23 -7.459 -4.733 -0.519 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.887 -5.304 0.909 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.700 -4.460 1.869 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.989 -2.932 1.060 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.668 -2.689 3.340 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -10.116 -2.687 2.352 1.00 0.00 H new ATOM 927 N VAL B 24 -9.791 -2.781 -1.208 1.00 0.00 N ATOM 928 CA VAL B 24 -10.659 -1.869 -1.947 1.00 0.00 C ATOM 929 C VAL B 24 -11.600 -2.656 -2.855 1.00 0.00 C ATOM 930 O VAL B 24 -12.774 -2.313 -2.997 1.00 0.00 O ATOM 931 CB VAL B 24 -9.862 -0.853 -2.801 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.801 0.146 -3.471 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.843 -0.123 -1.949 1.00 0.00 C ATOM 0 H VAL B 24 -8.814 -2.771 -1.499 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.229 -1.309 -1.206 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.335 -1.406 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.219 0.850 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.497 -0.387 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.358 0.690 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.293 0.586 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.354 0.413 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.148 -0.843 -1.517 1.00 0.00 H new ATOM 943 N ALA B 25 -11.088 -3.733 -3.440 1.00 0.00 N ATOM 944 CA ALA B 25 -11.862 -4.528 -4.386 1.00 0.00 C ATOM 945 C ALA B 25 -13.097 -5.144 -3.737 1.00 0.00 C ATOM 946 O ALA B 25 -14.168 -5.181 -4.341 1.00 0.00 O ATOM 947 CB ALA B 25 -10.999 -5.613 -5.003 1.00 0.00 C ATOM 0 H ALA B 25 -10.141 -4.075 -3.276 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.203 -3.853 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.594 -6.196 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.161 -5.156 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.621 -6.268 -4.218 1.00 0.00 H new ATOM 953 N ARG B 26 -12.951 -5.628 -2.507 1.00 0.00 N ATOM 954 CA ARG B 26 -14.068 -6.235 -1.806 1.00 0.00 C ATOM 955 C ARG B 26 -15.142 -5.206 -1.478 1.00 0.00 C ATOM 956 O ARG B 26 -16.328 -5.461 -1.681 1.00 0.00 O ATOM 957 CB ARG B 26 -13.603 -6.962 -0.540 1.00 0.00 C ATOM 958 CG ARG B 26 -12.621 -6.194 0.328 1.00 0.00 C ATOM 959 CD ARG B 26 -12.167 -7.028 1.515 1.00 0.00 C ATOM 960 NE ARG B 26 -13.284 -7.451 2.359 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.142 -7.979 3.574 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.929 -8.167 4.085 1.00 0.00 N ATOM 963 NH2 ARG B 26 -14.213 -8.337 4.267 1.00 0.00 N ATOM 0 H ARG B 26 -12.076 -5.610 -1.982 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.508 -6.975 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.479 -7.206 0.061 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.143 -7.906 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.756 -5.903 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.087 -5.275 0.683 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.634 -7.908 1.155 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.462 -6.451 2.113 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.230 -7.335 1.995 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.103 -7.907 3.546 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.825 -8.571 5.016 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -15.144 -8.208 3.870 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -14.107 -8.741 5.197 1.00 0.00 H new ATOM 977 N LEU B 27 -14.734 -4.038 -0.993 1.00 0.00 N ATOM 978 CA LEU B 27 -15.691 -2.973 -0.705 1.00 0.00 C ATOM 979 C LEU B 27 -16.355 -2.484 -1.982 1.00 0.00 C ATOM 980 O LEU B 27 -17.524 -2.113 -1.971 1.00 0.00 O ATOM 981 CB LEU B 27 -15.045 -1.789 0.018 1.00 0.00 C ATOM 982 CG LEU B 27 -14.882 -1.937 1.535 1.00 0.00 C ATOM 983 CD1 LEU B 27 -14.040 -3.149 1.895 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.283 -0.677 2.127 1.00 0.00 C ATOM 0 H LEU B 27 -13.761 -3.805 -0.793 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.442 -3.403 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.061 -1.615 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.643 -0.899 -0.178 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.874 -2.090 1.961 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.948 -3.219 2.979 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.518 -4.051 1.512 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.049 -3.048 1.452 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.174 -0.798 3.205 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.305 -0.495 1.681 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.939 0.169 1.921 1.00 0.00 H new ATOM 996 N LYS B 28 -15.609 -2.483 -3.080 1.00 0.00 N ATOM 997 CA LYS B 28 -16.154 -2.100 -4.375 1.00 0.00 C ATOM 998 C LYS B 28 -17.373 -2.958 -4.718 1.00 0.00 C ATOM 999 O LYS B 28 -18.365 -2.466 -5.260 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.084 -2.242 -5.462 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.490 -1.661 -6.807 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.703 -0.158 -6.722 1.00 0.00 C ATOM 1003 CE LYS B 28 -16.108 0.425 -8.064 1.00 0.00 C ATOM 1004 NZ LYS B 28 -16.322 1.892 -7.991 1.00 0.00 N ATOM 0 H LYS B 28 -14.623 -2.744 -3.099 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.468 -1.057 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.171 -1.750 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.848 -3.298 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.720 -1.879 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.407 -2.141 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.474 0.060 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.786 0.321 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.336 0.208 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.022 -0.058 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.597 2.250 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -17.077 2.099 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.442 2.356 -7.688 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.301 -4.240 -4.381 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.402 -5.152 -4.619 1.00 0.00 C ATOM 1020 C LYS B 29 -19.476 -5.001 -3.550 1.00 0.00 C ATOM 1021 O LYS B 29 -20.640 -5.307 -3.788 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.895 -6.589 -4.652 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.865 -6.852 -5.741 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.430 -6.576 -7.126 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.393 -6.819 -8.210 1.00 0.00 C ATOM 1026 NZ LYS B 29 -15.924 -8.228 -8.226 1.00 0.00 N ATOM 0 H LYS B 29 -16.487 -4.668 -3.941 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.844 -4.907 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.457 -6.832 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.742 -7.260 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.989 -6.225 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.531 -7.888 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.296 -7.214 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.778 -5.544 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.818 -6.568 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.542 -6.156 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.379 -8.403 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.320 -8.402 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.744 -8.867 -8.197 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.085 -4.531 -2.372 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.041 -4.285 -1.297 1.00 0.00 C ATOM 1042 C LEU B 30 -20.885 -3.057 -1.615 1.00 0.00 C ATOM 1043 O LEU B 30 -22.063 -2.992 -1.268 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.322 -4.092 0.042 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.519 -5.297 0.541 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.857 -4.977 1.873 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.411 -6.521 0.671 1.00 0.00 C ATOM 0 H LEU B 30 -18.117 -4.313 -2.136 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.692 -5.156 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.648 -3.240 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.063 -3.834 0.798 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.741 -5.518 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.290 -5.843 2.215 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.184 -4.128 1.750 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.622 -4.730 2.609 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.821 -7.365 1.027 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.212 -6.314 1.381 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.841 -6.763 -0.301 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.271 -2.083 -2.279 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.979 -0.888 -2.721 1.00 0.00 C ATOM 1061 C VAL B 31 -21.852 -1.210 -3.937 1.00 0.00 C ATOM 1062 O VAL B 31 -22.889 -0.582 -4.162 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.995 0.262 -3.068 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.745 1.507 -3.519 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.109 0.588 -1.877 1.00 0.00 C ATOM 0 H VAL B 31 -19.281 -2.099 -2.523 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.612 -0.555 -1.898 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.366 -0.076 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.031 2.296 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.336 1.275 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.406 1.843 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.427 1.396 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.729 0.897 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.534 -0.295 -1.599 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.436 -2.211 -4.704 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.166 -2.589 -5.897 1.00 0.00 C ATOM 1077 C GLY B 32 -23.287 -3.568 -5.607 1.00 0.00 C ATOM 1078 O GLY B 32 -24.399 -3.407 -6.111 1.00 0.00 O ATOM 0 H GLY B 32 -20.602 -2.769 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.580 -1.695 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.477 -3.033 -6.615 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.987 -4.574 -4.788 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.950 -5.609 -4.411 1.00 0.00 C ATOM 1084 C GLU B 33 -24.352 -6.437 -5.628 1.00 0.00 C ATOM 1085 O GLU B 33 -23.542 -7.290 -6.050 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.186 -5.001 -3.737 1.00 0.00 C ATOM 1087 CG GLU B 33 -24.879 -4.292 -2.428 1.00 0.00 C ATOM 1088 CD GLU B 33 -26.112 -3.676 -1.795 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -26.407 -2.501 -2.096 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -26.782 -4.370 -1.003 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.466 -6.236 -6.160 1.00 0.00 O ATOM 0 H GLU B 33 -22.067 -4.695 -4.365 1.00 0.00 H new ATOM 0 HA GLU B 33 -23.468 -6.267 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -25.652 -4.294 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.913 -5.791 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.433 -5.001 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -24.139 -3.512 -2.606 1.00 0.00 H new TER 1098 GLU B 33