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 3 MET CE :methyl -153:sc= -0.0837 (180deg=-0.425) USER MOD Set 1.2: B 3 MET CE :methyl -166:sc= -0.0862 (180deg=-0.447) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.12 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc=-0.00875 (180deg=-0.0912) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= -1.14 (180deg=-1.15) USER MOD Single : A 15 SER OG : rot 73:sc= 1.09 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.022) USER MOD Single : A 17 ASN : amide:sc= -4.18! C(o=-4.2!,f=-6.3!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.5) USER MOD Single : A 22 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 1.3 (180deg=0.856) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0961) USER MOD Single : B 1 GLY N :NH3+ -124:sc= 0.117 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 171:sc=-0.00911 (180deg=-0.0936) USER MOD Single : B 5 GLN : amide:sc=-0.00029 K(o=-0.00029,f=-2.3!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= -1.02 (180deg=-1.02) USER MOD Single : B 15 SER OG : rot 73:sc= 1.1 USER MOD Single : B 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0276) USER MOD Single : B 17 ASN : amide:sc= -4.34! C(o=-4.3!,f=-6.4!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=-0.55) USER MOD Single : B 22 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= 1.29 (180deg=0.937) USER MOD Single : B 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0957) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.508 8.563 -8.451 1.00 0.00 N ATOM 2 CA GLY A 1 22.867 8.135 -7.188 1.00 0.00 C ATOM 3 C GLY A 1 22.298 6.741 -7.296 1.00 0.00 C ATOM 4 O GLY A 1 22.246 6.173 -8.387 1.00 0.00 O ATOM 0 H1 GLY A 1 24.508 8.788 -8.274 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.444 7.796 -9.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.023 9.407 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.597 8.168 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.072 8.834 -6.928 1.00 0.00 H new ATOM 10 N SER A 2 21.870 6.191 -6.170 1.00 0.00 N ATOM 11 CA SER A 2 21.296 4.856 -6.140 1.00 0.00 C ATOM 12 C SER A 2 20.634 4.581 -4.790 1.00 0.00 C ATOM 13 O SER A 2 19.452 4.241 -4.732 1.00 0.00 O ATOM 14 CB SER A 2 22.375 3.804 -6.428 1.00 0.00 C ATOM 15 OG SER A 2 21.824 2.499 -6.497 1.00 0.00 O ATOM 0 H SER A 2 21.910 6.652 -5.261 1.00 0.00 H new ATOM 0 HA SER A 2 20.532 4.795 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.873 4.040 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.135 3.838 -5.648 1.00 0.00 H new ATOM 0 HG SER A 2 22.537 1.852 -6.683 1.00 0.00 H new ATOM 21 N MET A 3 21.391 4.751 -3.709 1.00 0.00 N ATOM 22 CA MET A 3 20.901 4.433 -2.371 1.00 0.00 C ATOM 23 C MET A 3 19.709 5.300 -1.983 1.00 0.00 C ATOM 24 O MET A 3 18.673 4.781 -1.572 1.00 0.00 O ATOM 25 CB MET A 3 22.016 4.581 -1.334 1.00 0.00 C ATOM 26 CG MET A 3 23.129 3.558 -1.487 1.00 0.00 C ATOM 27 SD MET A 3 22.525 1.855 -1.456 1.00 0.00 S ATOM 28 CE MET A 3 21.705 1.801 0.137 1.00 0.00 C ATOM 0 H MET A 3 22.346 5.107 -3.734 1.00 0.00 H new ATOM 0 HA MET A 3 20.569 3.395 -2.390 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.441 5.582 -1.410 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.587 4.492 -0.336 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.653 3.736 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.855 3.696 -0.686 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.709 0.778 0.514 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.231 2.448 0.839 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.676 2.144 0.028 1.00 0.00 H new ATOM 38 N LYS A 4 19.844 6.613 -2.123 1.00 0.00 N ATOM 39 CA LYS A 4 18.764 7.527 -1.764 1.00 0.00 C ATOM 40 C LYS A 4 17.558 7.309 -2.673 1.00 0.00 C ATOM 41 O LYS A 4 16.411 7.414 -2.238 1.00 0.00 O ATOM 42 CB LYS A 4 19.234 8.984 -1.830 1.00 0.00 C ATOM 43 CG LYS A 4 18.179 9.992 -1.399 1.00 0.00 C ATOM 44 CD LYS A 4 18.768 11.386 -1.213 1.00 0.00 C ATOM 45 CE LYS A 4 19.356 11.938 -2.505 1.00 0.00 C ATOM 46 NZ LYS A 4 18.324 12.117 -3.562 1.00 0.00 N ATOM 0 H LYS A 4 20.684 7.068 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 4 18.467 7.316 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.114 9.101 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.543 9.210 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.386 10.030 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.722 9.663 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.993 12.061 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.544 11.352 -0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.837 12.895 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.131 11.262 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.736 12.633 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.991 11.186 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.523 12.658 -3.177 1.00 0.00 H new ATOM 60 N GLN A 5 17.823 6.977 -3.930 1.00 0.00 N ATOM 61 CA GLN A 5 16.756 6.680 -4.877 1.00 0.00 C ATOM 62 C GLN A 5 16.014 5.415 -4.458 1.00 0.00 C ATOM 63 O GLN A 5 14.797 5.316 -4.612 1.00 0.00 O ATOM 64 CB GLN A 5 17.315 6.519 -6.291 1.00 0.00 C ATOM 65 CG GLN A 5 17.982 7.774 -6.825 1.00 0.00 C ATOM 66 CD GLN A 5 18.402 7.640 -8.274 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.513 7.209 -8.574 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.517 8.014 -9.182 1.00 0.00 N ATOM 0 H GLN A 5 18.764 6.907 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 5 16.057 7.516 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.037 5.703 -6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.506 6.233 -6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.296 8.615 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.857 8.003 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.605 8.366 -8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.746 7.950 -10.174 1.00 0.00 H new ATOM 77 N LEU A 6 16.753 4.459 -3.911 1.00 0.00 N ATOM 78 CA LEU A 6 16.166 3.220 -3.424 1.00 0.00 C ATOM 79 C LEU A 6 15.348 3.509 -2.164 1.00 0.00 C ATOM 80 O LEU A 6 14.275 2.943 -1.962 1.00 0.00 O ATOM 81 CB LEU A 6 17.278 2.191 -3.148 1.00 0.00 C ATOM 82 CG LEU A 6 16.866 0.709 -3.184 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.996 0.345 -1.996 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.145 0.384 -4.482 1.00 0.00 C ATOM 0 H LEU A 6 17.764 4.519 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 6 15.500 2.800 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.072 2.342 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.703 2.403 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 6 17.777 0.114 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.724 -0.709 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.546 0.528 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.092 0.954 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.862 -0.669 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.250 1.001 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.805 0.587 -5.325 1.00 0.00 H new ATOM 96 N GLU A 7 15.850 4.418 -1.335 1.00 0.00 N ATOM 97 CA GLU A 7 15.131 4.847 -0.140 1.00 0.00 C ATOM 98 C GLU A 7 13.818 5.526 -0.523 1.00 0.00 C ATOM 99 O GLU A 7 12.798 5.368 0.151 1.00 0.00 O ATOM 100 CB GLU A 7 15.995 5.797 0.694 1.00 0.00 C ATOM 101 CG GLU A 7 17.269 5.160 1.230 1.00 0.00 C ATOM 102 CD GLU A 7 16.997 3.988 2.156 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.914 2.846 1.660 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.872 4.213 3.377 1.00 0.00 O ATOM 0 H GLU A 7 16.753 4.873 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 7 14.906 3.966 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.261 6.661 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.405 6.168 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.880 4.822 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.849 5.912 1.765 1.00 0.00 H new ATOM 111 N ASP A 8 13.846 6.274 -1.623 1.00 0.00 N ATOM 112 CA ASP A 8 12.642 6.915 -2.143 1.00 0.00 C ATOM 113 C ASP A 8 11.719 5.890 -2.784 1.00 0.00 C ATOM 114 O ASP A 8 10.521 6.120 -2.914 1.00 0.00 O ATOM 115 CB ASP A 8 12.987 8.000 -3.163 1.00 0.00 C ATOM 116 CG ASP A 8 13.489 9.279 -2.524 1.00 0.00 C ATOM 117 OD1 ASP A 8 12.667 10.011 -1.937 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.702 9.555 -2.621 1.00 0.00 O ATOM 0 H ASP A 8 14.688 6.451 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 8 12.131 7.379 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.747 7.620 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.103 8.222 -3.761 1.00 0.00 H new ATOM 123 N LYS A 9 12.285 4.759 -3.188 1.00 0.00 N ATOM 124 CA LYS A 9 11.508 3.682 -3.790 1.00 0.00 C ATOM 125 C LYS A 9 10.643 3.010 -2.727 1.00 0.00 C ATOM 126 O LYS A 9 9.518 2.592 -3.000 1.00 0.00 O ATOM 127 CB LYS A 9 12.441 2.664 -4.457 1.00 0.00 C ATOM 128 CG LYS A 9 11.726 1.554 -5.212 1.00 0.00 C ATOM 129 CD LYS A 9 12.720 0.665 -5.945 1.00 0.00 C ATOM 130 CE LYS A 9 12.029 -0.415 -6.761 1.00 0.00 C ATOM 131 NZ LYS A 9 11.332 -1.406 -5.903 1.00 0.00 N ATOM 0 H LYS A 9 13.283 4.563 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 9 10.854 4.098 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.099 3.191 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.075 2.216 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.141 0.954 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.025 1.988 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.336 1.277 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.390 0.199 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.310 0.047 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.765 -0.927 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.833 -2.094 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.028 -1.903 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.646 -0.916 -5.294 1.00 0.00 H new ATOM 145 N VAL A 10 11.171 2.928 -1.510 1.00 0.00 N ATOM 146 CA VAL A 10 10.412 2.414 -0.377 1.00 0.00 C ATOM 147 C VAL A 10 9.230 3.332 -0.082 1.00 0.00 C ATOM 148 O VAL A 10 8.090 2.887 0.056 1.00 0.00 O ATOM 149 CB VAL A 10 11.285 2.307 0.894 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.499 1.670 2.033 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.559 1.523 0.620 1.00 0.00 C ATOM 0 H VAL A 10 12.124 3.212 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 10 10.062 1.417 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 10 11.569 3.316 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.131 1.604 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.624 2.280 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.179 0.670 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.153 1.464 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.303 0.517 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.135 2.025 -0.157 1.00 0.00 H new ATOM 161 N GLU A 11 9.516 4.627 -0.012 1.00 0.00 N ATOM 162 CA GLU A 11 8.496 5.626 0.280 1.00 0.00 C ATOM 163 C GLU A 11 7.514 5.755 -0.879 1.00 0.00 C ATOM 164 O GLU A 11 6.366 6.156 -0.688 1.00 0.00 O ATOM 165 CB GLU A 11 9.150 6.975 0.571 1.00 0.00 C ATOM 166 CG GLU A 11 10.097 6.941 1.757 1.00 0.00 C ATOM 167 CD GLU A 11 10.720 8.292 2.043 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.083 9.102 2.746 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.846 8.538 1.562 1.00 0.00 O ATOM 0 H GLU A 11 10.450 5.011 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 11 7.942 5.303 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.697 7.303 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.372 7.715 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.556 6.600 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.886 6.214 1.566 1.00 0.00 H new ATOM 176 N GLU A 12 7.976 5.427 -2.078 1.00 0.00 N ATOM 177 CA GLU A 12 7.118 5.422 -3.255 1.00 0.00 C ATOM 178 C GLU A 12 5.909 4.514 -3.038 1.00 0.00 C ATOM 179 O GLU A 12 4.767 4.943 -3.212 1.00 0.00 O ATOM 180 CB GLU A 12 7.895 4.969 -4.494 1.00 0.00 C ATOM 181 CG GLU A 12 7.072 4.991 -5.772 1.00 0.00 C ATOM 182 CD GLU A 12 7.858 4.538 -6.983 1.00 0.00 C ATOM 183 OE1 GLU A 12 8.308 5.409 -7.755 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.028 3.313 -7.156 1.00 0.00 O ATOM 0 H GLU A 12 8.943 5.160 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 12 6.767 6.441 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.766 5.612 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.267 3.958 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.201 4.348 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.701 6.002 -5.943 1.00 0.00 H new ATOM 191 N LEU A 13 6.157 3.266 -2.656 1.00 0.00 N ATOM 192 CA LEU A 13 5.057 2.342 -2.387 1.00 0.00 C ATOM 193 C LEU A 13 4.330 2.661 -1.088 1.00 0.00 C ATOM 194 O LEU A 13 3.177 2.267 -0.926 1.00 0.00 O ATOM 195 CB LEU A 13 5.496 0.878 -2.400 1.00 0.00 C ATOM 196 CG LEU A 13 5.770 0.325 -3.794 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.213 0.571 -4.204 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.426 -1.154 -3.860 1.00 0.00 C ATOM 0 H LEU A 13 7.090 2.875 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 13 4.357 2.487 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.397 0.774 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.723 0.273 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 13 5.131 0.853 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.382 0.167 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.412 1.643 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.881 0.080 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.628 -1.530 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.032 -1.701 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.370 -1.293 -3.627 1.00 0.00 H new ATOM 210 N LEU A 14 4.969 3.377 -0.167 1.00 0.00 N ATOM 211 CA LEU A 14 4.256 3.836 1.011 1.00 0.00 C ATOM 212 C LEU A 14 3.208 4.849 0.584 1.00 0.00 C ATOM 213 O LEU A 14 2.087 4.850 1.080 1.00 0.00 O ATOM 214 CB LEU A 14 5.191 4.450 2.051 1.00 0.00 C ATOM 215 CG LEU A 14 4.574 4.546 3.460 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.630 4.449 4.552 1.00 0.00 C ATOM 217 CD2 LEU A 14 3.774 5.828 3.625 1.00 0.00 C ATOM 0 H LEU A 14 5.952 3.644 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 14 3.783 2.975 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.103 3.855 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.480 5.448 1.722 1.00 0.00 H new ATOM 0 HG LEU A 14 3.901 3.695 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.151 4.521 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.149 3.494 4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.347 5.262 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.351 5.867 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.428 6.687 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.968 5.851 2.891 1.00 0.00 H new ATOM 229 N SER A 15 3.588 5.702 -0.354 1.00 0.00 N ATOM 230 CA SER A 15 2.658 6.642 -0.948 1.00 0.00 C ATOM 231 C SER A 15 1.579 5.878 -1.710 1.00 0.00 C ATOM 232 O SER A 15 0.417 6.288 -1.745 1.00 0.00 O ATOM 233 CB SER A 15 3.406 7.596 -1.881 1.00 0.00 C ATOM 234 OG SER A 15 4.529 8.166 -1.224 1.00 0.00 O ATOM 0 H SER A 15 4.538 5.761 -0.720 1.00 0.00 H new ATOM 0 HA SER A 15 2.183 7.231 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.734 7.059 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.734 8.387 -2.215 1.00 0.00 H new ATOM 0 HG SER A 15 5.231 7.488 -1.128 1.00 0.00 H new ATOM 240 N LYS A 16 1.978 4.750 -2.299 1.00 0.00 N ATOM 241 CA LYS A 16 1.053 3.863 -2.988 1.00 0.00 C ATOM 242 C LYS A 16 -0.027 3.356 -2.029 1.00 0.00 C ATOM 243 O LYS A 16 -1.218 3.523 -2.295 1.00 0.00 O ATOM 244 CB LYS A 16 1.826 2.690 -3.597 1.00 0.00 C ATOM 245 CG LYS A 16 0.992 1.739 -4.439 1.00 0.00 C ATOM 246 CD LYS A 16 1.829 0.552 -4.889 1.00 0.00 C ATOM 247 CE LYS A 16 1.040 -0.408 -5.764 1.00 0.00 C ATOM 248 NZ LYS A 16 0.733 0.168 -7.097 1.00 0.00 N ATOM 0 H LYS A 16 2.947 4.431 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 16 0.559 4.417 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.632 3.087 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.292 2.124 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.135 1.390 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.598 2.264 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.699 0.911 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.202 0.020 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.607 -1.330 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.109 -0.673 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.269 -0.551 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.099 0.985 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.615 0.475 -7.554 1.00 0.00 H new ATOM 262 N ASN A 17 0.383 2.759 -0.904 1.00 0.00 N ATOM 263 CA ASN A 17 -0.582 2.245 0.067 1.00 0.00 C ATOM 264 C ASN A 17 -1.294 3.382 0.794 1.00 0.00 C ATOM 265 O ASN A 17 -2.467 3.262 1.128 1.00 0.00 O ATOM 266 CB ASN A 17 0.060 1.281 1.084 1.00 0.00 C ATOM 267 CG ASN A 17 1.116 1.922 1.967 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.299 1.863 1.671 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.695 2.526 3.066 1.00 0.00 N ATOM 0 H ASN A 17 1.361 2.622 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.317 1.677 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.723 0.864 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.510 0.448 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.367 2.962 3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.301 2.556 3.282 1.00 0.00 H new ATOM 276 N TYR A 18 -0.591 4.480 1.044 1.00 0.00 N ATOM 277 CA TYR A 18 -1.203 5.666 1.641 1.00 0.00 C ATOM 278 C TYR A 18 -2.428 6.105 0.839 1.00 0.00 C ATOM 279 O TYR A 18 -3.516 6.275 1.389 1.00 0.00 O ATOM 280 CB TYR A 18 -0.187 6.810 1.720 1.00 0.00 C ATOM 281 CG TYR A 18 -0.753 8.106 2.260 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.073 9.154 1.406 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.967 8.282 3.622 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.590 10.338 1.892 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.486 9.465 4.116 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.794 10.489 3.246 1.00 0.00 C ATOM 287 OH TYR A 18 -2.310 11.671 3.730 1.00 0.00 O ATOM 0 H TYR A 18 0.404 4.576 0.843 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.524 5.411 2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.645 6.499 2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.218 6.990 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.915 9.040 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.724 7.482 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.833 11.142 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.649 9.586 5.177 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.394 11.616 4.705 1.00 0.00 H new ATOM 297 N HIS A 19 -2.250 6.268 -0.468 1.00 0.00 N ATOM 298 CA HIS A 19 -3.349 6.671 -1.338 1.00 0.00 C ATOM 299 C HIS A 19 -4.357 5.539 -1.480 1.00 0.00 C ATOM 300 O HIS A 19 -5.564 5.766 -1.543 1.00 0.00 O ATOM 301 CB HIS A 19 -2.835 7.090 -2.720 1.00 0.00 C ATOM 302 CG HIS A 19 -1.980 8.319 -2.700 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.757 8.399 -3.330 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.180 9.527 -2.120 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.241 9.596 -3.136 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.085 10.302 -2.405 1.00 0.00 N ATOM 0 H HIS A 19 -1.360 6.128 -0.946 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.840 7.530 -0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.263 6.268 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.687 7.262 -3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.042 9.824 -1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.711 9.941 -3.511 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.945 11.266 -2.102 1.00 0.00 H new ATOM 315 N LEU A 20 -3.858 4.315 -1.507 1.00 0.00 N ATOM 316 CA LEU A 20 -4.700 3.149 -1.648 1.00 0.00 C ATOM 317 C LEU A 20 -5.605 2.993 -0.426 1.00 0.00 C ATOM 318 O LEU A 20 -6.751 2.563 -0.545 1.00 0.00 O ATOM 319 CB LEU A 20 -3.824 1.918 -1.846 1.00 0.00 C ATOM 320 CG LEU A 20 -4.569 0.628 -2.134 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.399 0.750 -3.403 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.586 -0.520 -2.248 1.00 0.00 C ATOM 0 H LEU A 20 -2.862 4.106 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.343 3.266 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.136 2.111 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.219 1.776 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.251 0.429 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.923 -0.188 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.125 1.554 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.744 0.971 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.127 -1.443 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.886 -0.320 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.037 -0.623 -1.312 1.00 0.00 H new ATOM 334 N GLU A 21 -5.094 3.368 0.745 1.00 0.00 N ATOM 335 CA GLU A 21 -5.898 3.350 1.964 1.00 0.00 C ATOM 336 C GLU A 21 -7.026 4.374 1.860 1.00 0.00 C ATOM 337 O GLU A 21 -8.111 4.178 2.405 1.00 0.00 O ATOM 338 CB GLU A 21 -5.033 3.636 3.196 1.00 0.00 C ATOM 339 CG GLU A 21 -5.773 3.444 4.512 1.00 0.00 C ATOM 340 CD GLU A 21 -4.895 3.687 5.724 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.202 2.743 6.153 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.901 4.820 6.245 1.00 0.00 O ATOM 0 H GLU A 21 -4.134 3.686 0.875 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.329 2.355 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.162 2.981 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.663 4.660 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.626 4.122 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.170 2.430 4.555 1.00 0.00 H new ATOM 349 N ASN A 22 -6.769 5.456 1.130 1.00 0.00 N ATOM 350 CA ASN A 22 -7.792 6.468 0.877 1.00 0.00 C ATOM 351 C ASN A 22 -8.929 5.872 0.056 1.00 0.00 C ATOM 352 O ASN A 22 -10.072 6.327 0.131 1.00 0.00 O ATOM 353 CB ASN A 22 -7.207 7.685 0.151 1.00 0.00 C ATOM 354 CG ASN A 22 -6.451 8.631 1.069 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.424 9.840 0.839 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.831 8.100 2.110 1.00 0.00 N ATOM 0 H ASN A 22 -5.864 5.655 0.704 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.177 6.801 1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.536 7.341 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.015 8.231 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.310 8.697 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.874 7.094 2.271 1.00 0.00 H new ATOM 363 N GLU A 23 -8.607 4.835 -0.715 1.00 0.00 N ATOM 364 CA GLU A 23 -9.603 4.139 -1.523 1.00 0.00 C ATOM 365 C GLU A 23 -10.456 3.223 -0.654 1.00 0.00 C ATOM 366 O GLU A 23 -11.649 3.059 -0.897 1.00 0.00 O ATOM 367 CB GLU A 23 -8.951 3.324 -2.647 1.00 0.00 C ATOM 368 CG GLU A 23 -8.653 4.121 -3.909 1.00 0.00 C ATOM 369 CD GLU A 23 -7.514 5.108 -3.748 1.00 0.00 C ATOM 370 OE1 GLU A 23 -7.771 6.253 -3.330 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.362 4.731 -4.045 1.00 0.00 O ATOM 0 H GLU A 23 -7.662 4.459 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.239 4.899 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.021 2.894 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.607 2.492 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.412 3.430 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.551 4.661 -4.208 1.00 0.00 H new ATOM 378 N VAL A 24 -9.847 2.636 0.365 1.00 0.00 N ATOM 379 CA VAL A 24 -10.578 1.762 1.270 1.00 0.00 C ATOM 380 C VAL A 24 -11.534 2.587 2.125 1.00 0.00 C ATOM 381 O VAL A 24 -12.675 2.193 2.368 1.00 0.00 O ATOM 382 CB VAL A 24 -9.638 0.955 2.198 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.416 -0.105 2.975 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.514 0.309 1.407 1.00 0.00 C ATOM 0 H VAL A 24 -8.857 2.747 0.585 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.130 1.052 0.654 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.199 1.652 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.733 -0.658 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.179 0.378 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.892 -0.793 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.869 -0.252 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.935 -0.367 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.931 1.082 0.906 1.00 0.00 H new ATOM 394 N ALA A 25 -11.066 3.757 2.545 1.00 0.00 N ATOM 395 CA ALA A 25 -11.835 4.614 3.441 1.00 0.00 C ATOM 396 C ALA A 25 -13.114 5.130 2.784 1.00 0.00 C ATOM 397 O ALA A 25 -14.166 5.191 3.425 1.00 0.00 O ATOM 398 CB ALA A 25 -10.983 5.777 3.923 1.00 0.00 C ATOM 0 H ALA A 25 -10.157 4.135 2.279 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.130 4.007 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.571 6.407 4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.114 5.394 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.652 6.365 3.067 1.00 0.00 H new ATOM 404 N ARG A 26 -13.026 5.493 1.507 1.00 0.00 N ATOM 405 CA ARG A 26 -14.170 6.036 0.790 1.00 0.00 C ATOM 406 C ARG A 26 -15.259 4.985 0.613 1.00 0.00 C ATOM 407 O ARG A 26 -16.441 5.263 0.804 1.00 0.00 O ATOM 408 CB ARG A 26 -13.744 6.608 -0.567 1.00 0.00 C ATOM 409 CG ARG A 26 -12.845 5.701 -1.395 1.00 0.00 C ATOM 410 CD ARG A 26 -12.338 6.414 -2.636 1.00 0.00 C ATOM 411 NE ARG A 26 -13.424 6.913 -3.478 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.258 7.832 -4.431 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.057 8.354 -4.657 1.00 0.00 N ATOM 414 NH2 ARG A 26 -14.295 8.232 -5.153 1.00 0.00 N ATOM 0 H ARG A 26 -12.174 5.420 0.950 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.581 6.848 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.639 6.834 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.226 7.553 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.000 5.373 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.396 4.806 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.702 7.247 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.718 5.731 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.361 6.538 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.257 8.052 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.935 9.056 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.220 7.837 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.169 8.935 -5.882 1.00 0.00 H new ATOM 428 N LEU A 27 -14.857 3.778 0.254 1.00 0.00 N ATOM 429 CA LEU A 27 -15.799 2.680 0.097 1.00 0.00 C ATOM 430 C LEU A 27 -16.391 2.259 1.429 1.00 0.00 C ATOM 431 O LEU A 27 -17.580 1.970 1.512 1.00 0.00 O ATOM 432 CB LEU A 27 -15.127 1.490 -0.556 1.00 0.00 C ATOM 433 CG LEU A 27 -14.604 1.736 -1.956 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.564 0.704 -2.308 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.749 1.703 -2.952 1.00 0.00 C ATOM 0 H LEU A 27 -13.885 3.532 0.065 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.607 3.036 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.297 1.170 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.838 0.664 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.140 2.721 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.194 0.889 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.737 0.765 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.008 -0.290 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.363 1.881 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.234 0.727 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.474 2.477 -2.699 1.00 0.00 H new ATOM 447 N LYS A 28 -15.560 2.213 2.461 1.00 0.00 N ATOM 448 CA LYS A 28 -16.016 1.839 3.796 1.00 0.00 C ATOM 449 C LYS A 28 -17.258 2.634 4.195 1.00 0.00 C ATOM 450 O LYS A 28 -18.276 2.056 4.578 1.00 0.00 O ATOM 451 CB LYS A 28 -14.909 2.055 4.829 1.00 0.00 C ATOM 452 CG LYS A 28 -15.249 1.486 6.197 1.00 0.00 C ATOM 453 CD LYS A 28 -15.244 -0.037 6.186 1.00 0.00 C ATOM 454 CE LYS A 28 -15.879 -0.616 7.444 1.00 0.00 C ATOM 455 NZ LYS A 28 -15.334 -0.005 8.681 1.00 0.00 N ATOM 0 H LYS A 28 -14.565 2.430 2.401 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.274 0.780 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.989 1.594 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.713 3.123 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.530 1.848 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.230 1.845 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.783 -0.396 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.219 -0.396 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.957 -0.460 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.713 -1.693 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.566 -0.607 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.301 0.083 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.752 0.938 8.816 1.00 0.00 H new ATOM 469 N LYS A 29 -17.188 3.955 4.070 1.00 0.00 N ATOM 470 CA LYS A 29 -18.298 4.815 4.457 1.00 0.00 C ATOM 471 C LYS A 29 -19.451 4.723 3.459 1.00 0.00 C ATOM 472 O LYS A 29 -20.591 5.042 3.791 1.00 0.00 O ATOM 473 CB LYS A 29 -17.816 6.257 4.622 1.00 0.00 C ATOM 474 CG LYS A 29 -17.163 6.843 3.380 1.00 0.00 C ATOM 475 CD LYS A 29 -16.515 8.193 3.662 1.00 0.00 C ATOM 476 CE LYS A 29 -17.535 9.257 4.044 1.00 0.00 C ATOM 477 NZ LYS A 29 -18.462 9.574 2.926 1.00 0.00 N ATOM 0 H LYS A 29 -16.376 4.452 3.704 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.680 4.469 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.664 6.882 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.104 6.298 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.410 6.150 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.911 6.956 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.789 8.083 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.965 8.521 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.110 8.914 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.014 10.164 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.025 10.414 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.913 9.763 2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -19.098 8.767 2.763 1.00 0.00 H new ATOM 491 N LEU A 30 -19.155 4.271 2.247 1.00 0.00 N ATOM 492 CA LEU A 30 -20.191 3.999 1.256 1.00 0.00 C ATOM 493 C LEU A 30 -20.990 2.762 1.647 1.00 0.00 C ATOM 494 O LEU A 30 -22.183 2.661 1.352 1.00 0.00 O ATOM 495 CB LEU A 30 -19.573 3.799 -0.128 1.00 0.00 C ATOM 496 CG LEU A 30 -19.218 5.080 -0.885 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.432 4.751 -2.143 1.00 0.00 C ATOM 498 CD2 LEU A 30 -20.477 5.856 -1.243 1.00 0.00 C ATOM 0 H LEU A 30 -18.205 4.085 1.925 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.861 4.858 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.669 3.200 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.268 3.220 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.599 5.701 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.187 5.673 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.512 4.232 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.032 4.111 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -20.204 6.764 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -21.118 5.239 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.012 6.121 -0.331 1.00 0.00 H new ATOM 510 N VAL A 31 -20.331 1.820 2.309 1.00 0.00 N ATOM 511 CA VAL A 31 -20.989 0.598 2.741 1.00 0.00 C ATOM 512 C VAL A 31 -21.657 0.798 4.101 1.00 0.00 C ATOM 513 O VAL A 31 -22.675 0.170 4.395 1.00 0.00 O ATOM 514 CB VAL A 31 -20.005 -0.597 2.804 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.751 -1.907 3.020 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.169 -0.671 1.537 1.00 0.00 C ATOM 0 H VAL A 31 -19.343 1.880 2.557 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.752 0.363 1.999 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.339 -0.438 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.037 -2.730 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.304 -1.860 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.446 -2.070 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.485 -1.517 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.824 -0.799 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.598 0.250 1.424 1.00 0.00 H new ATOM 526 N GLY A 32 -21.108 1.693 4.923 1.00 0.00 N ATOM 527 CA GLY A 32 -21.713 1.948 6.219 1.00 0.00 C ATOM 528 C GLY A 32 -20.793 2.630 7.221 1.00 0.00 C ATOM 529 O GLY A 32 -21.226 2.916 8.338 1.00 0.00 O ATOM 0 H GLY A 32 -20.270 2.237 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.598 2.568 6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -22.051 1.001 6.641 1.00 0.00 H new ATOM 533 N GLU A 33 -19.543 2.892 6.824 1.00 0.00 N ATOM 534 CA GLU A 33 -18.552 3.544 7.688 1.00 0.00 C ATOM 535 C GLU A 33 -18.093 2.616 8.814 1.00 0.00 C ATOM 536 O GLU A 33 -18.872 2.375 9.761 1.00 0.00 O ATOM 537 CB GLU A 33 -19.091 4.860 8.261 1.00 0.00 C ATOM 538 CG GLU A 33 -18.096 5.583 9.152 1.00 0.00 C ATOM 539 CD GLU A 33 -18.651 6.869 9.724 1.00 0.00 C ATOM 540 OE1 GLU A 33 -19.470 6.794 10.660 1.00 0.00 O ATOM 541 OE2 GLU A 33 -18.265 7.951 9.236 1.00 0.00 O ATOM 542 OXT GLU A 33 -16.943 2.139 8.757 1.00 0.00 O ATOM 0 H GLU A 33 -19.190 2.659 5.896 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.686 3.774 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.375 5.517 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.997 4.655 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.801 4.924 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.195 5.804 8.579 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 23.537 -8.799 7.738 1.00 0.00 N ATOM 551 CA GLY B 1 22.893 -8.362 6.478 1.00 0.00 C ATOM 552 C GLY B 1 22.319 -6.968 6.598 1.00 0.00 C ATOM 553 O GLY B 1 22.264 -6.412 7.696 1.00 0.00 O ATOM 0 H1 GLY B 1 24.524 -9.068 7.548 1.00 0.00 H new ATOM 0 H2 GLY B 1 23.517 -8.020 8.427 1.00 0.00 H new ATOM 0 H3 GLY B 1 23.023 -9.616 8.125 1.00 0.00 H new ATOM 0 HA2 GLY B 1 23.623 -8.387 5.669 1.00 0.00 H new ATOM 0 HA3 GLY B 1 22.100 -9.061 6.213 1.00 0.00 H new ATOM 559 N SER B 2 21.890 -6.406 5.476 1.00 0.00 N ATOM 560 CA SER B 2 21.315 -5.070 5.458 1.00 0.00 C ATOM 561 C SER B 2 20.651 -4.782 4.112 1.00 0.00 C ATOM 562 O SER B 2 19.473 -4.425 4.061 1.00 0.00 O ATOM 563 CB SER B 2 22.391 -4.016 5.747 1.00 0.00 C ATOM 564 OG SER B 2 21.837 -2.712 5.807 1.00 0.00 O ATOM 0 H SER B 2 21.930 -6.858 4.563 1.00 0.00 H new ATOM 0 HA SER B 2 20.555 -5.021 6.238 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.884 -4.247 6.691 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.156 -4.052 4.971 1.00 0.00 H new ATOM 0 HG SER B 2 22.547 -2.063 5.994 1.00 0.00 H new ATOM 570 N MET B 3 21.404 -4.953 3.027 1.00 0.00 N ATOM 571 CA MET B 3 20.911 -4.626 1.692 1.00 0.00 C ATOM 572 C MET B 3 19.716 -5.487 1.300 1.00 0.00 C ATOM 573 O MET B 3 18.682 -4.965 0.890 1.00 0.00 O ATOM 574 CB MET B 3 22.023 -4.769 0.652 1.00 0.00 C ATOM 575 CG MET B 3 23.139 -3.747 0.806 1.00 0.00 C ATOM 576 SD MET B 3 22.534 -2.045 0.790 1.00 0.00 S ATOM 577 CE MET B 3 21.710 -1.983 -0.802 1.00 0.00 C ATOM 0 H MET B 3 22.357 -5.316 3.047 1.00 0.00 H new ATOM 0 HA MET B 3 20.581 -3.588 1.719 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.447 -5.771 0.722 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.591 -4.675 -0.344 1.00 0.00 H new ATOM 0 HG2 MET B 3 23.668 -3.931 1.741 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.861 -3.879 -0.000 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.505 -0.945 -1.065 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.351 -2.430 -1.561 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.772 -2.536 -0.748 1.00 0.00 H new ATOM 587 N LYS B 4 19.849 -6.802 1.441 1.00 0.00 N ATOM 588 CA LYS B 4 18.768 -7.711 1.077 1.00 0.00 C ATOM 589 C LYS B 4 17.565 -7.497 1.990 1.00 0.00 C ATOM 590 O LYS B 4 16.417 -7.593 1.558 1.00 0.00 O ATOM 591 CB LYS B 4 19.239 -9.169 1.134 1.00 0.00 C ATOM 592 CG LYS B 4 18.180 -10.176 0.703 1.00 0.00 C ATOM 593 CD LYS B 4 18.764 -11.570 0.509 1.00 0.00 C ATOM 594 CE LYS B 4 19.355 -12.131 1.796 1.00 0.00 C ATOM 595 NZ LYS B 4 18.328 -12.309 2.857 1.00 0.00 N ATOM 0 H LYS B 4 20.687 -7.259 1.801 1.00 0.00 H new ATOM 0 HA LYS B 4 18.467 -7.494 0.052 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.116 -9.283 0.496 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.553 -9.400 2.152 1.00 0.00 H new ATOM 0 HG2 LYS B 4 17.390 -10.215 1.453 1.00 0.00 H new ATOM 0 HG3 LYS B 4 17.720 -9.843 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS B 4 17.985 -12.241 0.146 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.537 -11.534 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.829 -13.090 1.588 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.135 -11.461 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 18.741 -12.831 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.001 -11.377 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 17.522 -12.843 2.474 1.00 0.00 H new ATOM 609 N GLN B 5 17.835 -7.173 3.250 1.00 0.00 N ATOM 610 CA GLN B 5 16.773 -6.880 4.205 1.00 0.00 C ATOM 611 C GLN B 5 16.031 -5.612 3.799 1.00 0.00 C ATOM 612 O GLN B 5 14.814 -5.510 3.962 1.00 0.00 O ATOM 613 CB GLN B 5 17.339 -6.730 5.618 1.00 0.00 C ATOM 614 CG GLN B 5 18.007 -7.991 6.141 1.00 0.00 C ATOM 615 CD GLN B 5 18.432 -7.870 7.589 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.548 -7.451 7.891 1.00 0.00 O ATOM 617 NE2 GLN B 5 17.547 -8.242 8.497 1.00 0.00 N ATOM 0 H GLN B 5 18.778 -7.107 3.633 1.00 0.00 H new ATOM 0 HA GLN B 5 16.072 -7.715 4.202 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.063 -5.915 5.626 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.533 -6.448 6.295 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.320 -8.831 6.037 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.880 -8.216 5.528 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.631 -8.584 8.206 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.780 -8.187 9.489 1.00 0.00 H new ATOM 626 N LEU B 6 16.770 -4.654 3.252 1.00 0.00 N ATOM 627 CA LEU B 6 16.185 -3.411 2.771 1.00 0.00 C ATOM 628 C LEU B 6 15.363 -3.690 1.512 1.00 0.00 C ATOM 629 O LEU B 6 14.290 -3.121 1.315 1.00 0.00 O ATOM 630 CB LEU B 6 17.297 -2.384 2.494 1.00 0.00 C ATOM 631 CG LEU B 6 16.889 -0.900 2.538 1.00 0.00 C ATOM 632 CD1 LEU B 6 16.013 -0.529 1.355 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.177 -0.579 3.841 1.00 0.00 C ATOM 0 H LEU B 6 17.781 -4.716 3.131 1.00 0.00 H new ATOM 0 HA LEU B 6 15.523 -2.995 3.530 1.00 0.00 H new ATOM 0 HB2 LEU B 6 18.094 -2.540 3.221 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.717 -2.593 1.510 1.00 0.00 H new ATOM 0 HG LEU B 6 17.801 -0.306 2.480 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.744 0.525 1.418 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.558 -0.710 0.428 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.108 -1.136 1.368 1.00 0.00 H new ATOM 0 HD21 LEU B 6 15.897 0.474 3.853 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.281 -1.194 3.927 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.842 -0.787 4.680 1.00 0.00 H new ATOM 645 N GLU B 7 15.862 -4.595 0.677 1.00 0.00 N ATOM 646 CA GLU B 7 15.139 -5.014 -0.518 1.00 0.00 C ATOM 647 C GLU B 7 13.824 -5.693 -0.137 1.00 0.00 C ATOM 648 O GLU B 7 12.806 -5.523 -0.814 1.00 0.00 O ATOM 649 CB GLU B 7 15.997 -5.961 -1.359 1.00 0.00 C ATOM 650 CG GLU B 7 17.268 -5.322 -1.896 1.00 0.00 C ATOM 651 CD GLU B 7 16.993 -4.149 -2.820 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.926 -3.006 -2.323 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.844 -4.376 -4.039 1.00 0.00 O ATOM 0 H GLU B 7 16.764 -5.053 0.806 1.00 0.00 H new ATOM 0 HA GLU B 7 14.915 -4.127 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.264 -6.828 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.403 -6.327 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.880 -4.984 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.848 -6.073 -2.433 1.00 0.00 H new ATOM 660 N ASP B 8 13.852 -6.448 0.957 1.00 0.00 N ATOM 661 CA ASP B 8 12.649 -7.091 1.477 1.00 0.00 C ATOM 662 C ASP B 8 11.728 -6.066 2.124 1.00 0.00 C ATOM 663 O ASP B 8 10.528 -6.288 2.241 1.00 0.00 O ATOM 664 CB ASP B 8 12.995 -8.181 2.491 1.00 0.00 C ATOM 665 CG ASP B 8 13.495 -9.456 1.841 1.00 0.00 C ATOM 666 OD1 ASP B 8 12.669 -10.185 1.258 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.708 -9.732 1.927 1.00 0.00 O ATOM 0 H ASP B 8 14.695 -6.630 1.501 1.00 0.00 H new ATOM 0 HA ASP B 8 12.136 -7.553 0.633 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.756 -7.805 3.175 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.112 -8.407 3.089 1.00 0.00 H new ATOM 672 N LYS B 9 12.299 -4.942 2.539 1.00 0.00 N ATOM 673 CA LYS B 9 11.527 -3.867 3.151 1.00 0.00 C ATOM 674 C LYS B 9 10.656 -3.186 2.099 1.00 0.00 C ATOM 675 O LYS B 9 9.536 -2.765 2.382 1.00 0.00 O ATOM 676 CB LYS B 9 12.465 -2.855 3.822 1.00 0.00 C ATOM 677 CG LYS B 9 11.755 -1.747 4.586 1.00 0.00 C ATOM 678 CD LYS B 9 12.755 -0.865 5.318 1.00 0.00 C ATOM 679 CE LYS B 9 12.068 0.213 6.143 1.00 0.00 C ATOM 680 NZ LYS B 9 11.366 1.206 5.291 1.00 0.00 N ATOM 0 H LYS B 9 13.298 -4.751 2.463 1.00 0.00 H new ATOM 0 HA LYS B 9 10.876 -4.288 3.918 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.123 -3.388 4.508 1.00 0.00 H new ATOM 0 HB3 LYS B 9 13.099 -2.404 3.058 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.168 -1.142 3.895 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.057 -2.182 5.301 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.373 -1.482 5.970 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.423 -0.397 4.595 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.353 -0.251 6.822 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.808 0.724 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.912 1.922 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.052 1.669 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.642 0.724 4.721 1.00 0.00 H new ATOM 694 N VAL B 10 11.180 -3.101 0.879 1.00 0.00 N ATOM 695 CA VAL B 10 10.416 -2.578 -0.249 1.00 0.00 C ATOM 696 C VAL B 10 9.232 -3.495 -0.543 1.00 0.00 C ATOM 697 O VAL B 10 8.092 -3.047 -0.674 1.00 0.00 O ATOM 698 CB VAL B 10 11.282 -2.464 -1.524 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.494 -1.820 -2.654 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.558 -1.682 -1.251 1.00 0.00 C ATOM 0 H VAL B 10 12.131 -3.388 0.647 1.00 0.00 H new ATOM 0 HA VAL B 10 10.069 -1.582 0.026 1.00 0.00 H new ATOM 0 HB VAL B 10 11.562 -3.472 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.123 -1.750 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.617 -2.427 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.177 -0.821 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.148 -1.617 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.304 -0.678 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.138 -2.190 -0.480 1.00 0.00 H new ATOM 710 N GLU B 11 9.515 -4.789 -0.619 1.00 0.00 N ATOM 711 CA GLU B 11 8.493 -5.784 -0.915 1.00 0.00 C ATOM 712 C GLU B 11 7.515 -5.922 0.247 1.00 0.00 C ATOM 713 O GLU B 11 6.365 -6.323 0.059 1.00 0.00 O ATOM 714 CB GLU B 11 9.145 -7.130 -1.217 1.00 0.00 C ATOM 715 CG GLU B 11 10.086 -7.090 -2.407 1.00 0.00 C ATOM 716 CD GLU B 11 10.702 -8.441 -2.703 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.059 -9.240 -3.412 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.823 -8.698 -2.226 1.00 0.00 O ATOM 0 H GLU B 11 10.449 -5.175 -0.479 1.00 0.00 H new ATOM 0 HA GLU B 11 7.936 -5.453 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU B 11 9.697 -7.464 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.366 -7.869 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.542 -6.742 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.879 -6.367 -2.216 1.00 0.00 H new ATOM 725 N GLU B 12 7.983 -5.602 1.446 1.00 0.00 N ATOM 726 CA GLU B 12 7.129 -5.601 2.628 1.00 0.00 C ATOM 727 C GLU B 12 5.924 -4.685 2.425 1.00 0.00 C ATOM 728 O GLU B 12 4.782 -5.102 2.621 1.00 0.00 O ATOM 729 CB GLU B 12 7.916 -5.162 3.865 1.00 0.00 C ATOM 730 CG GLU B 12 7.099 -5.185 5.147 1.00 0.00 C ATOM 731 CD GLU B 12 7.893 -4.732 6.353 1.00 0.00 C ATOM 732 OE1 GLU B 12 8.330 -5.599 7.137 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.082 -3.507 6.512 1.00 0.00 O ATOM 0 H GLU B 12 8.952 -5.339 1.627 1.00 0.00 H new ATOM 0 HA GLU B 12 6.772 -6.619 2.783 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.782 -5.813 3.984 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.296 -4.153 3.704 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.227 -4.542 5.029 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.729 -6.196 5.319 1.00 0.00 H new ATOM 740 N LEU B 13 6.172 -3.437 2.040 1.00 0.00 N ATOM 741 CA LEU B 13 5.073 -2.510 1.783 1.00 0.00 C ATOM 742 C LEU B 13 4.339 -2.821 0.487 1.00 0.00 C ATOM 743 O LEU B 13 3.187 -2.424 0.330 1.00 0.00 O ATOM 744 CB LEU B 13 5.513 -1.045 1.804 1.00 0.00 C ATOM 745 CG LEU B 13 5.794 -0.500 3.201 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.239 -0.750 3.605 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.449 0.977 3.277 1.00 0.00 C ATOM 0 H LEU B 13 7.105 -3.049 1.901 1.00 0.00 H new ATOM 0 HA LEU B 13 4.377 -2.658 2.609 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.411 -0.938 1.196 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.738 -0.437 1.337 1.00 0.00 H new ATOM 0 HG LEU B 13 5.159 -1.032 3.909 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.411 -0.351 4.605 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.437 -1.822 3.602 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.905 -0.256 2.898 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.656 1.348 4.281 1.00 0.00 H new ATOM 0 HD22 LEU B 13 6.051 1.529 2.555 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.392 1.116 3.050 1.00 0.00 H new ATOM 759 N LEU B 14 4.973 -3.532 -0.440 1.00 0.00 N ATOM 760 CA LEU B 14 4.253 -3.984 -1.617 1.00 0.00 C ATOM 761 C LEU B 14 3.207 -4.998 -1.193 1.00 0.00 C ATOM 762 O LEU B 14 2.084 -4.995 -1.688 1.00 0.00 O ATOM 763 CB LEU B 14 5.183 -4.594 -2.664 1.00 0.00 C ATOM 764 CG LEU B 14 4.559 -4.681 -4.070 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.609 -4.580 -5.168 1.00 0.00 C ATOM 766 CD2 LEU B 14 3.760 -5.962 -4.238 1.00 0.00 C ATOM 0 H LEU B 14 5.956 -3.800 -0.400 1.00 0.00 H new ATOM 0 HA LEU B 14 3.778 -3.119 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.095 -4.000 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.472 -5.594 -2.342 1.00 0.00 H new ATOM 0 HG LEU B 14 3.886 -3.829 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.124 -4.646 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU B 14 6.131 -3.626 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.325 -5.395 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU B 14 3.332 -5.995 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.415 -6.821 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU B 14 2.959 -5.990 -3.500 1.00 0.00 H new ATOM 778 N SER B 15 3.588 -5.859 -0.264 1.00 0.00 N ATOM 779 CA SER B 15 2.658 -6.800 0.328 1.00 0.00 C ATOM 780 C SER B 15 1.583 -6.037 1.096 1.00 0.00 C ATOM 781 O SER B 15 0.421 -6.445 1.136 1.00 0.00 O ATOM 782 CB SER B 15 3.406 -7.760 1.253 1.00 0.00 C ATOM 783 OG SER B 15 4.526 -8.331 0.592 1.00 0.00 O ATOM 0 H SER B 15 4.540 -5.924 0.096 1.00 0.00 H new ATOM 0 HA SER B 15 2.180 -7.385 -0.458 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.737 -7.228 2.145 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.733 -8.550 1.585 1.00 0.00 H new ATOM 0 HG SER B 15 5.229 -7.655 0.496 1.00 0.00 H new ATOM 789 N LYS B 16 1.986 -4.911 1.690 1.00 0.00 N ATOM 790 CA LYS B 16 1.066 -4.027 2.387 1.00 0.00 C ATOM 791 C LYS B 16 -0.016 -3.519 1.433 1.00 0.00 C ATOM 792 O LYS B 16 -1.205 -3.696 1.695 1.00 0.00 O ATOM 793 CB LYS B 16 1.843 -2.858 2.999 1.00 0.00 C ATOM 794 CG LYS B 16 1.014 -1.912 3.853 1.00 0.00 C ATOM 795 CD LYS B 16 1.854 -0.728 4.306 1.00 0.00 C ATOM 796 CE LYS B 16 1.068 0.228 5.190 1.00 0.00 C ATOM 797 NZ LYS B 16 0.755 -0.362 6.517 1.00 0.00 N ATOM 0 H LYS B 16 2.955 -4.593 1.698 1.00 0.00 H new ATOM 0 HA LYS B 16 0.574 -4.581 3.187 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.652 -3.259 3.609 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.304 -2.287 2.193 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.154 -1.559 3.284 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.625 -2.443 4.722 1.00 0.00 H new ATOM 0 HD2 LYS B 16 2.726 -1.090 4.851 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.224 -0.192 3.432 1.00 0.00 H new ATOM 0 HE2 LYS B 16 1.640 1.145 5.328 1.00 0.00 H new ATOM 0 HE3 LYS B 16 0.140 0.503 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.309 0.358 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.104 -1.164 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.633 -0.694 6.965 1.00 0.00 H new ATOM 811 N ASN B 17 0.391 -2.913 0.313 1.00 0.00 N ATOM 812 CA ASN B 17 -0.579 -2.391 -0.652 1.00 0.00 C ATOM 813 C ASN B 17 -1.295 -3.524 -1.384 1.00 0.00 C ATOM 814 O ASN B 17 -2.465 -3.395 -1.728 1.00 0.00 O ATOM 815 CB ASN B 17 0.061 -1.424 -1.666 1.00 0.00 C ATOM 816 CG ASN B 17 1.111 -2.065 -2.556 1.00 0.00 C ATOM 817 OD1 ASN B 17 2.297 -1.997 -2.272 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.683 -2.671 -3.656 1.00 0.00 N ATOM 0 H ASN B 17 1.368 -2.774 0.056 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.311 -1.825 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.723 -1.002 -2.294 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.516 -0.595 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.352 -3.099 -4.296 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.315 -2.709 -3.862 1.00 0.00 H new ATOM 825 N TYR B 18 -0.594 -4.624 -1.638 1.00 0.00 N ATOM 826 CA TYR B 18 -1.210 -5.806 -2.237 1.00 0.00 C ATOM 827 C TYR B 18 -2.432 -6.245 -1.434 1.00 0.00 C ATOM 828 O TYR B 18 -3.524 -6.409 -1.984 1.00 0.00 O ATOM 829 CB TYR B 18 -0.195 -6.952 -2.325 1.00 0.00 C ATOM 830 CG TYR B 18 -0.766 -8.242 -2.871 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.081 -9.298 -2.023 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.990 -8.405 -4.231 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.600 -10.478 -2.516 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.512 -9.584 -4.731 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.815 -10.616 -3.869 1.00 0.00 C ATOM 836 OH TYR B 18 -2.332 -11.792 -4.365 1.00 0.00 O ATOM 0 H TYR B 18 0.401 -4.723 -1.439 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.535 -5.547 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.636 -6.639 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.212 -7.139 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.917 -9.193 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.753 -7.599 -4.909 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.836 -11.289 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.681 -9.696 -5.792 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.423 -11.725 -5.338 1.00 0.00 H new ATOM 846 N HIS B 19 -2.251 -6.413 -0.130 1.00 0.00 N ATOM 847 CA HIS B 19 -3.347 -6.820 0.742 1.00 0.00 C ATOM 848 C HIS B 19 -4.351 -5.687 0.893 1.00 0.00 C ATOM 849 O HIS B 19 -5.561 -5.910 0.950 1.00 0.00 O ATOM 850 CB HIS B 19 -2.824 -7.243 2.119 1.00 0.00 C ATOM 851 CG HIS B 19 -1.972 -8.475 2.088 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.744 -8.557 2.707 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.181 -9.680 1.509 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.234 -9.757 2.508 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.085 -10.459 1.784 1.00 0.00 N ATOM 0 H HIS B 19 -1.360 -6.275 0.346 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.842 -7.676 0.284 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.246 -6.423 2.546 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.672 -7.415 2.783 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.049 -9.974 0.937 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.720 -10.106 2.876 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.950 -11.423 1.479 1.00 0.00 H new ATOM 864 N LEU B 20 -3.849 -4.465 0.933 1.00 0.00 N ATOM 865 CA LEU B 20 -4.690 -3.300 1.081 1.00 0.00 C ATOM 866 C LEU B 20 -5.598 -3.135 -0.137 1.00 0.00 C ATOM 867 O LEU B 20 -6.742 -2.702 -0.013 1.00 0.00 O ATOM 868 CB LEU B 20 -3.811 -2.070 1.282 1.00 0.00 C ATOM 869 CG LEU B 20 -4.552 -0.781 1.580 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.375 -0.910 2.853 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.572 0.370 1.695 1.00 0.00 C ATOM 0 H LEU B 20 -2.853 -4.258 0.864 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.332 -3.423 1.954 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.119 -2.269 2.101 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.209 -1.924 0.385 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.236 -0.579 0.756 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.897 0.027 3.045 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.103 -1.713 2.736 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.716 -1.137 3.691 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.115 1.290 1.909 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.867 0.169 2.502 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.028 0.480 0.757 1.00 0.00 H new ATOM 883 N GLU B 21 -5.092 -3.507 -1.313 1.00 0.00 N ATOM 884 CA GLU B 21 -5.900 -3.481 -2.528 1.00 0.00 C ATOM 885 C GLU B 21 -7.029 -4.502 -2.427 1.00 0.00 C ATOM 886 O GLU B 21 -8.114 -4.303 -2.972 1.00 0.00 O ATOM 887 CB GLU B 21 -5.042 -3.759 -3.766 1.00 0.00 C ATOM 888 CG GLU B 21 -5.788 -3.563 -5.079 1.00 0.00 C ATOM 889 CD GLU B 21 -4.915 -3.806 -6.294 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.222 -2.860 -6.723 1.00 0.00 O ATOM 891 OE2 GLU B 21 -4.927 -4.939 -6.819 1.00 0.00 O ATOM 0 H GLU B 21 -4.133 -3.827 -1.448 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.329 -2.484 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.172 -3.102 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.670 -4.782 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.642 -4.239 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.183 -2.548 -5.119 1.00 0.00 H new ATOM 898 N ASN B 22 -6.773 -5.587 -1.702 1.00 0.00 N ATOM 899 CA ASN B 22 -7.798 -6.598 -1.454 1.00 0.00 C ATOM 900 C ASN B 22 -8.931 -6.002 -0.622 1.00 0.00 C ATOM 901 O ASN B 22 -10.076 -6.447 -0.696 1.00 0.00 O ATOM 902 CB ASN B 22 -7.214 -7.822 -0.739 1.00 0.00 C ATOM 903 CG ASN B 22 -6.462 -8.764 -1.667 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.433 -9.976 -1.446 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.845 -8.224 -2.708 1.00 0.00 N ATOM 0 H ASN B 22 -5.868 -5.789 -1.277 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.188 -6.923 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.540 -7.486 0.049 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.022 -8.370 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.325 -8.816 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.890 -7.217 -2.861 1.00 0.00 H new ATOM 912 N GLU B 23 -8.602 -4.972 0.155 1.00 0.00 N ATOM 913 CA GLU B 23 -9.594 -4.279 0.971 1.00 0.00 C ATOM 914 C GLU B 23 -10.449 -3.358 0.109 1.00 0.00 C ATOM 915 O GLU B 23 -11.640 -3.189 0.360 1.00 0.00 O ATOM 916 CB GLU B 23 -8.936 -3.472 2.097 1.00 0.00 C ATOM 917 CG GLU B 23 -8.633 -4.280 3.353 1.00 0.00 C ATOM 918 CD GLU B 23 -7.495 -5.266 3.178 1.00 0.00 C ATOM 919 OE1 GLU B 23 -7.753 -6.394 2.716 1.00 0.00 O ATOM 920 OE2 GLU B 23 -6.346 -4.908 3.509 1.00 0.00 O ATOM 0 H GLU B 23 -7.656 -4.600 0.236 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.229 -5.040 1.424 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.007 -3.040 1.724 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.590 -2.641 2.362 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.389 -3.596 4.165 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.530 -4.822 3.652 1.00 0.00 H new ATOM 927 N VAL B 24 -9.844 -2.770 -0.913 1.00 0.00 N ATOM 928 CA VAL B 24 -10.580 -1.888 -1.811 1.00 0.00 C ATOM 929 C VAL B 24 -11.539 -2.705 -2.667 1.00 0.00 C ATOM 930 O VAL B 24 -12.680 -2.308 -2.906 1.00 0.00 O ATOM 931 CB VAL B 24 -9.641 -1.076 -2.736 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.420 -0.013 -3.504 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.513 -0.437 -1.944 1.00 0.00 C ATOM 0 H VAL B 24 -8.856 -2.885 -1.141 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.131 -1.182 -1.189 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.203 -1.769 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.738 0.544 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.185 -0.493 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.894 0.670 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.869 0.127 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.930 0.235 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.929 -1.214 -1.450 1.00 0.00 H new ATOM 943 N ALA B 25 -11.077 -3.874 -3.093 1.00 0.00 N ATOM 944 CA ALA B 25 -11.850 -4.724 -3.990 1.00 0.00 C ATOM 945 C ALA B 25 -13.125 -5.244 -3.332 1.00 0.00 C ATOM 946 O ALA B 25 -14.178 -5.309 -3.974 1.00 0.00 O ATOM 947 CB ALA B 25 -11.003 -5.884 -4.480 1.00 0.00 C ATOM 0 H ALA B 25 -10.168 -4.256 -2.831 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.147 -4.111 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.594 -6.509 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.135 -5.500 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.670 -6.477 -3.628 1.00 0.00 H new ATOM 953 N ARG B 26 -13.032 -5.613 -2.056 1.00 0.00 N ATOM 954 CA ARG B 26 -14.175 -6.158 -1.339 1.00 0.00 C ATOM 955 C ARG B 26 -15.260 -5.106 -1.151 1.00 0.00 C ATOM 956 O ARG B 26 -16.443 -5.378 -1.348 1.00 0.00 O ATOM 957 CB ARG B 26 -13.741 -6.739 0.013 1.00 0.00 C ATOM 958 CG ARG B 26 -12.833 -5.838 0.840 1.00 0.00 C ATOM 959 CD ARG B 26 -12.315 -6.559 2.076 1.00 0.00 C ATOM 960 NE ARG B 26 -13.395 -7.059 2.920 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.237 -7.983 3.867 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.042 -8.514 4.093 1.00 0.00 N ATOM 963 NH2 ARG B 26 -14.278 -8.381 4.581 1.00 0.00 N ATOM 0 H ARG B 26 -12.178 -5.544 -1.502 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.593 -6.965 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.633 -6.965 0.597 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.227 -7.684 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.992 -5.507 0.230 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.380 -4.944 1.140 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.682 -7.391 1.769 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.690 -5.879 2.655 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.330 -6.677 2.776 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.238 -8.215 3.540 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.927 -9.221 4.819 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -15.200 -7.981 4.406 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -14.159 -9.088 5.306 1.00 0.00 H new ATOM 977 N LEU B 27 -14.855 -3.902 -0.785 1.00 0.00 N ATOM 978 CA LEU B 27 -15.798 -2.804 -0.618 1.00 0.00 C ATOM 979 C LEU B 27 -16.393 -2.374 -1.946 1.00 0.00 C ATOM 980 O LEU B 27 -17.584 -2.089 -2.024 1.00 0.00 O ATOM 981 CB LEU B 27 -15.124 -1.618 0.040 1.00 0.00 C ATOM 982 CG LEU B 27 -14.595 -1.872 1.437 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.549 -0.843 1.788 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.735 -1.841 2.439 1.00 0.00 C ATOM 0 H LEU B 27 -13.883 -3.658 -0.598 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.604 -3.164 0.021 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.297 -1.294 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.835 -0.793 0.082 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.134 -2.859 1.470 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.174 -1.033 2.794 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.725 -0.904 1.077 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.990 0.153 1.748 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.345 -2.025 3.440 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.217 -0.864 2.411 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.463 -2.612 2.186 1.00 0.00 H new ATOM 996 N LYS B 28 -15.565 -2.322 -2.981 1.00 0.00 N ATOM 997 CA LYS B 28 -16.027 -1.941 -4.312 1.00 0.00 C ATOM 998 C LYS B 28 -17.272 -2.735 -4.710 1.00 0.00 C ATOM 999 O LYS B 28 -18.290 -2.156 -5.086 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.924 -2.151 -5.350 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.267 -1.575 -6.715 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.259 -0.053 -6.701 1.00 0.00 C ATOM 1003 CE LYS B 28 -15.898 0.529 -7.956 1.00 0.00 C ATOM 1004 NZ LYS B 28 -15.360 -0.085 -9.199 1.00 0.00 N ATOM 0 H LYS B 28 -14.570 -2.539 -2.926 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.285 -0.882 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.003 -1.692 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.729 -3.219 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.551 -1.936 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.250 -1.931 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.794 0.305 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.233 0.304 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.977 0.377 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.728 1.605 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.623 0.500 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.324 -0.146 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.757 -1.039 -9.315 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.202 -4.057 -4.594 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.315 -4.913 -4.980 1.00 0.00 C ATOM 1020 C LYS B 29 -19.467 -4.824 -3.979 1.00 0.00 C ATOM 1021 O LYS B 29 -20.609 -5.140 -4.311 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.839 -6.355 -5.151 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.182 -6.950 -3.913 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.534 -8.298 -4.202 1.00 0.00 C ATOM 1025 CE LYS B 29 -17.558 -9.356 -4.588 1.00 0.00 C ATOM 1026 NZ LYS B 29 -18.485 -9.682 -3.471 1.00 0.00 N ATOM 0 H LYS B 29 -16.388 -4.557 -4.237 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.697 -4.560 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.691 -6.976 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.131 -6.396 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.428 -6.259 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.929 -7.068 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.809 -8.185 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.984 -8.631 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.134 -9.005 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.040 -10.262 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.049 -10.519 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.936 -9.880 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.119 -8.876 -3.299 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.165 -4.378 -2.765 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.196 -4.108 -1.766 1.00 0.00 C ATOM 1042 C LEU B 30 -20.996 -2.871 -2.149 1.00 0.00 C ATOM 1043 O LEU B 30 -22.191 -2.774 -1.856 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.572 -3.914 -0.384 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.217 -5.199 0.364 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.430 -4.877 1.623 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -20.475 -5.977 0.720 1.00 0.00 C ATOM 0 H LEU B 30 -18.213 -4.195 -2.447 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.866 -4.967 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.667 -3.316 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.263 -3.336 0.230 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.600 -5.816 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.184 -5.802 2.145 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.511 -4.357 1.354 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -19.030 -4.241 2.274 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -20.201 -6.888 1.252 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -21.114 -5.364 1.356 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -21.012 -6.237 -0.192 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.338 -1.927 -2.809 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.994 -0.700 -3.232 1.00 0.00 C ATOM 1061 C VAL B 31 -21.668 -0.885 -4.594 1.00 0.00 C ATOM 1062 O VAL B 31 -22.678 -0.239 -4.884 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.007 0.492 -3.292 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.749 1.806 -3.501 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.168 0.558 -2.027 1.00 0.00 C ATOM 0 H VAL B 31 -19.352 -1.989 -3.062 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.754 -0.471 -2.485 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.344 0.334 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.032 2.626 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.304 1.765 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.442 1.968 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.481 1.402 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.821 0.685 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.599 -0.365 -1.919 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.129 -1.783 -5.421 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.736 -2.031 -6.718 1.00 0.00 C ATOM 1077 C GLY B 32 -20.815 -2.706 -7.726 1.00 0.00 C ATOM 1078 O GLY B 32 -21.242 -2.982 -8.847 1.00 0.00 O ATOM 0 H GLY B 32 -20.295 -2.335 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.620 -2.653 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -22.076 -1.082 -7.134 1.00 0.00 H new ATOM 1082 N GLU B 33 -19.564 -2.973 -7.329 1.00 0.00 N ATOM 1083 CA GLU B 33 -18.573 -3.624 -8.196 1.00 0.00 C ATOM 1084 C GLU B 33 -18.104 -2.684 -9.305 1.00 0.00 C ATOM 1085 O GLU B 33 -18.895 -2.377 -10.217 1.00 0.00 O ATOM 1086 CB GLU B 33 -19.117 -4.931 -8.785 1.00 0.00 C ATOM 1087 CG GLU B 33 -18.127 -5.653 -9.683 1.00 0.00 C ATOM 1088 CD GLU B 33 -18.692 -6.933 -10.263 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -19.507 -6.848 -11.205 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -18.312 -8.019 -9.781 1.00 0.00 O ATOM 1091 OXT GLU B 33 -16.935 -2.256 -9.261 1.00 0.00 O ATOM 0 H GLU B 33 -19.211 -2.744 -6.400 1.00 0.00 H new ATOM 0 HA GLU B 33 -17.711 -3.870 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -19.406 -5.594 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -20.020 -4.714 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -17.830 -4.991 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -17.227 -5.883 -9.114 1.00 0.00 H new TER 1098 GLU B 33