USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0909 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.878 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.18) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0057 (180deg=-0.156) USER MOD Single : A 15 SER OG : rot 71:sc= 1.24 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -0.0112 (180deg=-0.159) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.18 F(o=-5.6!,f=-1.2) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.189 F(o=-0.72,f=0.19) USER MOD Single : A 22 ASN : amide:sc= 0.0897 K(o=0.09,f=-0.83) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0187 (180deg=-0.205) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0228 (180deg=-0.254) USER MOD Single : B 1 GLY N :NH3+ -129:sc= 0.0817 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.91 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.17) USER MOD Single : B 9 LYS NZ :NH3+ -168:sc=-0.00607 (180deg=-0.174) USER MOD Single : B 15 SER OG : rot 69:sc= 1.21 USER MOD Single : B 16 LYS NZ :NH3+ 169:sc= -0.0111 (180deg=-0.15) USER MOD Single : B 17 ASN :FLIP amide:sc= -1.11 F(o=-5.6!,f=-1.1) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.199 F(o=-0.75,f=0.2) USER MOD Single : B 22 ASN : amide:sc= 0.102 K(o=0.1,f=-0.81) USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= -0.0184 (180deg=-0.2) USER MOD Single : B 29 LYS NZ :NH3+ -167:sc= -0.0204 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.336 1.488 -3.815 1.00 0.00 N ATOM 2 CA GLY A 1 24.924 2.842 -4.250 1.00 0.00 C ATOM 3 C GLY A 1 23.447 2.902 -4.565 1.00 0.00 C ATOM 4 O GLY A 1 22.722 1.948 -4.294 1.00 0.00 O ATOM 0 H1 GLY A 1 25.730 1.537 -2.854 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.510 0.856 -3.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.057 1.119 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.159 3.563 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.496 3.131 -5.132 1.00 0.00 H new ATOM 10 N SER A 2 23.002 4.024 -5.124 1.00 0.00 N ATOM 11 CA SER A 2 21.599 4.198 -5.507 1.00 0.00 C ATOM 12 C SER A 2 20.726 4.228 -4.254 1.00 0.00 C ATOM 13 O SER A 2 19.561 3.824 -4.269 1.00 0.00 O ATOM 14 CB SER A 2 21.161 3.072 -6.459 1.00 0.00 C ATOM 15 OG SER A 2 19.811 3.215 -6.859 1.00 0.00 O ATOM 0 H SER A 2 23.593 4.831 -5.324 1.00 0.00 H new ATOM 0 HA SER A 2 21.483 5.145 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.803 3.071 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.294 2.108 -5.967 1.00 0.00 H new ATOM 0 HG SER A 2 19.570 2.483 -7.464 1.00 0.00 H new ATOM 21 N MET A 3 21.308 4.730 -3.173 1.00 0.00 N ATOM 22 CA MET A 3 20.651 4.743 -1.879 1.00 0.00 C ATOM 23 C MET A 3 19.406 5.619 -1.910 1.00 0.00 C ATOM 24 O MET A 3 18.346 5.220 -1.427 1.00 0.00 O ATOM 25 CB MET A 3 21.619 5.237 -0.805 1.00 0.00 C ATOM 26 CG MET A 3 21.102 5.049 0.612 1.00 0.00 C ATOM 27 SD MET A 3 20.790 3.316 1.007 1.00 0.00 S ATOM 28 CE MET A 3 20.222 3.450 2.701 1.00 0.00 C ATOM 0 H MET A 3 22.243 5.137 -3.171 1.00 0.00 H new ATOM 0 HA MET A 3 20.344 3.725 -1.640 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.566 4.708 -0.910 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.824 6.295 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.828 5.455 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.182 5.619 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.989 2.457 3.086 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.003 3.902 3.312 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.328 4.072 2.737 1.00 0.00 H new ATOM 38 N LYS A 4 19.530 6.800 -2.509 1.00 0.00 N ATOM 39 CA LYS A 4 18.421 7.743 -2.572 1.00 0.00 C ATOM 40 C LYS A 4 17.270 7.155 -3.380 1.00 0.00 C ATOM 41 O LYS A 4 16.102 7.347 -3.040 1.00 0.00 O ATOM 42 CB LYS A 4 18.874 9.074 -3.179 1.00 0.00 C ATOM 43 CG LYS A 4 17.787 10.138 -3.195 1.00 0.00 C ATOM 44 CD LYS A 4 18.266 11.431 -3.839 1.00 0.00 C ATOM 45 CE LYS A 4 19.394 12.073 -3.046 1.00 0.00 C ATOM 46 NZ LYS A 4 19.810 13.371 -3.633 1.00 0.00 N ATOM 0 H LYS A 4 20.387 7.125 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 4 18.074 7.931 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.729 9.448 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.216 8.901 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.920 9.762 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.462 10.340 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.606 11.227 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 4 17.433 12.129 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.073 12.226 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.248 11.397 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.580 13.778 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.140 13.221 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.001 14.025 -3.638 1.00 0.00 H new ATOM 60 N GLN A 5 17.608 6.421 -4.435 1.00 0.00 N ATOM 61 CA GLN A 5 16.601 5.765 -5.261 1.00 0.00 C ATOM 62 C GLN A 5 15.780 4.783 -4.433 1.00 0.00 C ATOM 63 O GLN A 5 14.556 4.759 -4.523 1.00 0.00 O ATOM 64 CB GLN A 5 17.253 5.035 -6.434 1.00 0.00 C ATOM 65 CG GLN A 5 17.860 5.956 -7.479 1.00 0.00 C ATOM 66 CD GLN A 5 16.826 6.853 -8.128 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.192 6.477 -9.113 1.00 0.00 O ATOM 68 NE2 GLN A 5 16.665 8.052 -7.594 1.00 0.00 N ATOM 0 H GLN A 5 18.570 6.266 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 5 15.937 6.536 -5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.032 4.376 -6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.507 4.401 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.630 6.571 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.351 5.357 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.211 8.324 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.994 8.705 -7.999 1.00 0.00 H new ATOM 77 N LEU A 6 16.459 3.989 -3.614 1.00 0.00 N ATOM 78 CA LEU A 6 15.782 3.016 -2.762 1.00 0.00 C ATOM 79 C LEU A 6 14.991 3.716 -1.660 1.00 0.00 C ATOM 80 O LEU A 6 13.916 3.259 -1.268 1.00 0.00 O ATOM 81 CB LEU A 6 16.784 2.026 -2.153 1.00 0.00 C ATOM 82 CG LEU A 6 17.132 0.812 -3.028 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.788 1.237 -4.333 1.00 0.00 C ATOM 84 CD2 LEU A 6 18.037 -0.146 -2.270 1.00 0.00 C ATOM 0 H LEU A 6 17.475 3.999 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 6 15.085 2.457 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.705 2.563 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.382 1.666 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 6 16.201 0.301 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.021 0.354 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.107 1.880 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.707 1.782 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.274 -1.001 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.958 0.367 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.528 -0.492 -1.370 1.00 0.00 H new ATOM 96 N GLU A 7 15.520 4.833 -1.171 1.00 0.00 N ATOM 97 CA GLU A 7 14.829 5.621 -0.156 1.00 0.00 C ATOM 98 C GLU A 7 13.551 6.231 -0.724 1.00 0.00 C ATOM 99 O GLU A 7 12.525 6.284 -0.051 1.00 0.00 O ATOM 100 CB GLU A 7 15.742 6.721 0.394 1.00 0.00 C ATOM 101 CG GLU A 7 16.964 6.192 1.130 1.00 0.00 C ATOM 102 CD GLU A 7 16.603 5.306 2.308 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.352 5.849 3.402 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.574 4.069 2.134 1.00 0.00 O ATOM 0 H GLU A 7 16.422 5.212 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 7 14.561 4.953 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.071 7.353 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.167 7.353 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.586 5.628 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.562 7.032 1.483 1.00 0.00 H new ATOM 111 N ASP A 8 13.614 6.683 -1.969 1.00 0.00 N ATOM 112 CA ASP A 8 12.435 7.221 -2.640 1.00 0.00 C ATOM 113 C ASP A 8 11.483 6.101 -3.025 1.00 0.00 C ATOM 114 O ASP A 8 10.268 6.286 -3.043 1.00 0.00 O ATOM 115 CB ASP A 8 12.819 8.019 -3.885 1.00 0.00 C ATOM 116 CG ASP A 8 13.370 9.388 -3.552 1.00 0.00 C ATOM 117 OD1 ASP A 8 12.569 10.286 -3.222 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.601 9.565 -3.630 1.00 0.00 O ATOM 0 H ASP A 8 14.463 6.689 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 8 11.937 7.892 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.562 7.461 -4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.944 8.130 -4.525 1.00 0.00 H new ATOM 123 N LYS A 9 12.047 4.941 -3.329 1.00 0.00 N ATOM 124 CA LYS A 9 11.261 3.773 -3.704 1.00 0.00 C ATOM 125 C LYS A 9 10.343 3.347 -2.563 1.00 0.00 C ATOM 126 O LYS A 9 9.137 3.196 -2.751 1.00 0.00 O ATOM 127 CB LYS A 9 12.185 2.615 -4.094 1.00 0.00 C ATOM 128 CG LYS A 9 11.446 1.382 -4.592 1.00 0.00 C ATOM 129 CD LYS A 9 12.402 0.238 -4.902 1.00 0.00 C ATOM 130 CE LYS A 9 13.352 0.581 -6.041 1.00 0.00 C ATOM 131 NZ LYS A 9 12.628 0.837 -7.315 1.00 0.00 N ATOM 0 H LYS A 9 13.055 4.783 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 9 10.643 4.040 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.870 2.955 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.792 2.340 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.726 1.061 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.879 1.635 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.979 -0.004 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.830 -0.652 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.936 1.462 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.057 -0.238 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.308 0.865 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.938 0.077 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.131 1.748 -7.255 1.00 0.00 H new ATOM 145 N VAL A 10 10.916 3.171 -1.375 1.00 0.00 N ATOM 146 CA VAL A 10 10.139 2.737 -0.220 1.00 0.00 C ATOM 147 C VAL A 10 9.106 3.795 0.177 1.00 0.00 C ATOM 148 O VAL A 10 7.995 3.461 0.582 1.00 0.00 O ATOM 149 CB VAL A 10 11.043 2.383 0.990 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.868 3.579 1.439 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.212 1.842 2.145 1.00 0.00 C ATOM 0 H VAL A 10 11.908 3.321 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 10 9.613 1.829 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 10 11.735 1.605 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.489 3.294 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.505 3.910 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.202 4.391 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.867 1.600 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.488 2.595 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.686 0.943 1.825 1.00 0.00 H new ATOM 161 N GLU A 11 9.461 5.069 0.028 1.00 0.00 N ATOM 162 CA GLU A 11 8.527 6.154 0.314 1.00 0.00 C ATOM 163 C GLU A 11 7.406 6.174 -0.716 1.00 0.00 C ATOM 164 O GLU A 11 6.264 6.505 -0.400 1.00 0.00 O ATOM 165 CB GLU A 11 9.240 7.505 0.325 1.00 0.00 C ATOM 166 CG GLU A 11 10.223 7.671 1.469 1.00 0.00 C ATOM 167 CD GLU A 11 10.854 9.047 1.486 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.414 9.890 2.295 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.783 9.284 0.686 1.00 0.00 O ATOM 0 H GLU A 11 10.382 5.374 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 11 8.104 5.978 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.771 7.633 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.494 8.298 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.710 7.497 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.005 6.916 1.387 1.00 0.00 H new ATOM 176 N GLU A 12 7.745 5.836 -1.953 1.00 0.00 N ATOM 177 CA GLU A 12 6.759 5.741 -3.021 1.00 0.00 C ATOM 178 C GLU A 12 5.700 4.684 -2.699 1.00 0.00 C ATOM 179 O GLU A 12 4.506 4.965 -2.759 1.00 0.00 O ATOM 180 CB GLU A 12 7.440 5.427 -4.353 1.00 0.00 C ATOM 181 CG GLU A 12 6.496 5.467 -5.540 1.00 0.00 C ATOM 182 CD GLU A 12 7.216 5.270 -6.856 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.694 6.272 -7.422 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.301 4.114 -7.318 1.00 0.00 O ATOM 0 H GLU A 12 8.699 5.622 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 12 6.259 6.706 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.247 6.141 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.896 4.439 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.738 4.692 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.974 6.424 -5.554 1.00 0.00 H new ATOM 191 N LEU A 13 6.127 3.469 -2.362 1.00 0.00 N ATOM 192 CA LEU A 13 5.177 2.431 -1.951 1.00 0.00 C ATOM 193 C LEU A 13 4.504 2.777 -0.625 1.00 0.00 C ATOM 194 O LEU A 13 3.347 2.418 -0.407 1.00 0.00 O ATOM 195 CB LEU A 13 5.816 1.041 -1.880 1.00 0.00 C ATOM 196 CG LEU A 13 6.054 0.388 -3.240 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.295 0.947 -3.915 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.149 -1.119 -3.100 1.00 0.00 C ATOM 0 H LEU A 13 7.105 3.180 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 13 4.413 2.398 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.768 1.118 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.176 0.390 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 13 5.200 0.622 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.435 0.460 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.176 2.020 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.166 0.762 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.319 -1.565 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.977 -1.371 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.219 -1.505 -2.682 1.00 0.00 H new ATOM 210 N LEU A 14 5.223 3.471 0.254 1.00 0.00 N ATOM 211 CA LEU A 14 4.626 4.013 1.469 1.00 0.00 C ATOM 212 C LEU A 14 3.456 4.917 1.088 1.00 0.00 C ATOM 213 O LEU A 14 2.410 4.908 1.729 1.00 0.00 O ATOM 214 CB LEU A 14 5.701 4.768 2.281 1.00 0.00 C ATOM 215 CG LEU A 14 5.272 5.418 3.607 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.509 6.712 3.377 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.453 4.452 4.454 1.00 0.00 C ATOM 0 H LEU A 14 6.218 3.670 0.147 1.00 0.00 H new ATOM 0 HA LEU A 14 4.242 3.211 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.510 4.070 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.115 5.549 1.644 1.00 0.00 H new ATOM 0 HG LEU A 14 6.182 5.664 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.223 7.141 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.142 7.417 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.614 6.507 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.164 4.940 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.558 4.157 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.050 3.568 4.677 1.00 0.00 H new ATOM 229 N SER A 15 3.643 5.684 0.029 1.00 0.00 N ATOM 230 CA SER A 15 2.581 6.511 -0.510 1.00 0.00 C ATOM 231 C SER A 15 1.485 5.638 -1.130 1.00 0.00 C ATOM 232 O SER A 15 0.298 5.916 -0.963 1.00 0.00 O ATOM 233 CB SER A 15 3.146 7.483 -1.547 1.00 0.00 C ATOM 234 OG SER A 15 4.231 8.224 -1.008 1.00 0.00 O ATOM 0 H SER A 15 4.526 5.751 -0.477 1.00 0.00 H new ATOM 0 HA SER A 15 2.139 7.088 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.478 6.931 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.363 8.165 -1.877 1.00 0.00 H new ATOM 0 HG SER A 15 5.004 7.633 -0.889 1.00 0.00 H new ATOM 240 N LYS A 16 1.883 4.570 -1.826 1.00 0.00 N ATOM 241 CA LYS A 16 0.921 3.674 -2.461 1.00 0.00 C ATOM 242 C LYS A 16 -0.014 3.032 -1.438 1.00 0.00 C ATOM 243 O LYS A 16 -1.235 3.139 -1.561 1.00 0.00 O ATOM 244 CB LYS A 16 1.633 2.589 -3.270 1.00 0.00 C ATOM 245 CG LYS A 16 2.355 3.118 -4.501 1.00 0.00 C ATOM 246 CD LYS A 16 3.020 1.999 -5.291 1.00 0.00 C ATOM 247 CE LYS A 16 2.008 0.992 -5.823 1.00 0.00 C ATOM 248 NZ LYS A 16 1.027 1.620 -6.749 1.00 0.00 N ATOM 0 H LYS A 16 2.859 4.308 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 16 0.319 4.281 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.353 2.083 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.903 1.842 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.646 3.643 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.108 3.845 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.578 2.426 -6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.741 1.486 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.533 0.190 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.477 0.537 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.479 0.878 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.383 2.232 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.533 2.189 -7.457 1.00 0.00 H new ATOM 262 N ASN A 17 0.547 2.385 -0.417 1.00 0.00 N ATOM 263 CA ASN A 17 -0.280 1.715 0.584 1.00 0.00 C ATOM 264 C ASN A 17 -1.010 2.726 1.458 1.00 0.00 C ATOM 265 O ASN A 17 -1.992 2.392 2.115 1.00 0.00 O ATOM 266 CB ASN A 17 0.531 0.710 1.435 1.00 0.00 C ATOM 267 CG ASN A 17 1.721 1.291 2.199 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.586 2.482 2.754 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 2.751 0.635 2.327 1.00 0.00 N flip ATOM 0 H ASN A 17 1.553 2.311 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.030 1.135 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.144 0.243 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.896 -0.081 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.829 -0.282 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.528 1.007 2.872 1.00 0.00 H new ATOM 276 N TYR A 18 -0.533 3.966 1.451 1.00 0.00 N ATOM 277 CA TYR A 18 -1.197 5.043 2.172 1.00 0.00 C ATOM 278 C TYR A 18 -2.437 5.499 1.412 1.00 0.00 C ATOM 279 O TYR A 18 -3.519 5.617 1.986 1.00 0.00 O ATOM 280 CB TYR A 18 -0.239 6.219 2.379 1.00 0.00 C ATOM 281 CG TYR A 18 -0.886 7.436 3.000 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.313 7.425 4.322 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.066 8.599 2.263 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.900 8.538 4.889 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.653 9.716 2.825 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.068 9.680 4.137 1.00 0.00 C ATOM 287 OH TYR A 18 -2.649 10.792 4.702 1.00 0.00 O ATOM 0 H TYR A 18 0.311 4.249 0.954 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.502 4.670 3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.586 5.895 3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.190 6.499 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.184 6.532 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.742 8.631 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.226 8.514 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.786 10.613 2.238 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.692 11.511 4.038 1.00 0.00 H new ATOM 297 N HIS A 19 -2.277 5.737 0.115 1.00 0.00 N ATOM 298 CA HIS A 19 -3.391 6.161 -0.727 1.00 0.00 C ATOM 299 C HIS A 19 -4.447 5.072 -0.808 1.00 0.00 C ATOM 300 O HIS A 19 -5.640 5.350 -0.711 1.00 0.00 O ATOM 301 CB HIS A 19 -2.912 6.536 -2.133 1.00 0.00 C ATOM 302 CG HIS A 19 -2.290 7.894 -2.214 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.179 8.399 -1.631 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 -2.812 8.916 -2.976 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 -1.051 9.699 -2.046 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 -2.049 9.985 -2.857 1.00 0.00 N flip ATOM 0 H HIS A 19 -1.388 5.644 -0.376 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.833 7.046 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.189 5.794 -2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.758 6.492 -2.819 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.551 7.903 -0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.707 8.852 -3.577 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.262 10.377 -1.756 1.00 0.00 H new ATOM 315 N LEU A 20 -4.004 3.831 -0.965 1.00 0.00 N ATOM 316 CA LEU A 20 -4.918 2.697 -1.018 1.00 0.00 C ATOM 317 C LEU A 20 -5.613 2.498 0.324 1.00 0.00 C ATOM 318 O LEU A 20 -6.774 2.097 0.373 1.00 0.00 O ATOM 319 CB LEU A 20 -4.184 1.422 -1.441 1.00 0.00 C ATOM 320 CG LEU A 20 -4.207 1.112 -2.944 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.613 0.754 -3.390 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.697 2.292 -3.749 1.00 0.00 C ATOM 0 H LEU A 20 -3.019 3.584 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.679 2.914 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.145 1.499 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.621 0.578 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.549 0.261 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.612 0.537 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.956 -0.123 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.282 1.591 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.723 2.047 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.328 3.161 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.672 2.518 -3.454 1.00 0.00 H new ATOM 334 N GLU A 21 -4.908 2.799 1.411 1.00 0.00 N ATOM 335 CA GLU A 21 -5.509 2.756 2.739 1.00 0.00 C ATOM 336 C GLU A 21 -6.646 3.771 2.822 1.00 0.00 C ATOM 337 O GLU A 21 -7.710 3.492 3.382 1.00 0.00 O ATOM 338 CB GLU A 21 -4.459 3.050 3.813 1.00 0.00 C ATOM 339 CG GLU A 21 -4.987 2.924 5.231 1.00 0.00 C ATOM 340 CD GLU A 21 -3.954 3.294 6.277 1.00 0.00 C ATOM 341 OE1 GLU A 21 -3.230 2.390 6.745 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.868 4.489 6.625 1.00 0.00 O ATOM 0 H GLU A 21 -3.926 3.074 1.398 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.907 1.756 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.619 2.367 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.074 4.059 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.861 3.565 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.319 1.900 5.401 1.00 0.00 H new ATOM 349 N ASN A 22 -6.414 4.941 2.236 1.00 0.00 N ATOM 350 CA ASN A 22 -7.426 5.990 2.178 1.00 0.00 C ATOM 351 C ASN A 22 -8.609 5.546 1.327 1.00 0.00 C ATOM 352 O ASN A 22 -9.744 5.966 1.556 1.00 0.00 O ATOM 353 CB ASN A 22 -6.844 7.288 1.605 1.00 0.00 C ATOM 354 CG ASN A 22 -5.777 7.908 2.488 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.773 7.724 3.705 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.879 8.669 1.883 1.00 0.00 N ATOM 0 H ASN A 22 -5.529 5.187 1.792 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.765 6.177 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.419 7.085 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.650 8.007 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.149 9.128 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.917 8.796 0.872 1.00 0.00 H new ATOM 363 N GLU A 23 -8.341 4.681 0.355 1.00 0.00 N ATOM 364 CA GLU A 23 -9.372 4.204 -0.555 1.00 0.00 C ATOM 365 C GLU A 23 -10.315 3.233 0.152 1.00 0.00 C ATOM 366 O GLU A 23 -11.520 3.249 -0.088 1.00 0.00 O ATOM 367 CB GLU A 23 -8.753 3.522 -1.777 1.00 0.00 C ATOM 368 CG GLU A 23 -7.837 4.420 -2.596 1.00 0.00 C ATOM 369 CD GLU A 23 -8.523 5.676 -3.090 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.428 5.561 -3.944 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.149 6.775 -2.630 1.00 0.00 O ATOM 0 H GLU A 23 -7.414 4.295 0.178 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.942 5.071 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.188 2.651 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.554 3.156 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.975 4.698 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.458 3.860 -3.451 1.00 0.00 H new ATOM 378 N VAL A 24 -9.771 2.397 1.031 1.00 0.00 N ATOM 379 CA VAL A 24 -10.596 1.442 1.769 1.00 0.00 C ATOM 380 C VAL A 24 -11.455 2.179 2.798 1.00 0.00 C ATOM 381 O VAL A 24 -12.510 1.698 3.206 1.00 0.00 O ATOM 382 CB VAL A 24 -9.746 0.344 2.459 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.632 -0.775 3.004 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.727 -0.223 1.488 1.00 0.00 C ATOM 0 H VAL A 24 -8.775 2.359 1.249 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.243 0.941 1.049 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.221 0.802 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.010 -1.531 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.330 -0.364 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.190 -1.229 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.138 -0.993 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.243 -0.659 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.067 0.574 1.146 1.00 0.00 H new ATOM 394 N ALA A 25 -11.012 3.363 3.200 1.00 0.00 N ATOM 395 CA ALA A 25 -11.824 4.218 4.059 1.00 0.00 C ATOM 396 C ALA A 25 -12.867 4.953 3.222 1.00 0.00 C ATOM 397 O ALA A 25 -13.968 5.247 3.689 1.00 0.00 O ATOM 398 CB ALA A 25 -10.950 5.209 4.811 1.00 0.00 C ATOM 0 H ALA A 25 -10.103 3.752 2.948 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.335 3.594 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.575 5.837 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.234 4.667 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.413 5.835 4.098 1.00 0.00 H new ATOM 404 N ARG A 26 -12.497 5.230 1.976 1.00 0.00 N ATOM 405 CA ARG A 26 -13.377 5.879 1.012 1.00 0.00 C ATOM 406 C ARG A 26 -14.598 5.006 0.711 1.00 0.00 C ATOM 407 O ARG A 26 -15.736 5.442 0.887 1.00 0.00 O ATOM 408 CB ARG A 26 -12.571 6.194 -0.263 1.00 0.00 C ATOM 409 CG ARG A 26 -13.383 6.328 -1.545 1.00 0.00 C ATOM 410 CD ARG A 26 -14.444 7.415 -1.453 1.00 0.00 C ATOM 411 NE ARG A 26 -15.219 7.516 -2.689 1.00 0.00 N ATOM 412 CZ ARG A 26 -16.263 8.327 -2.856 1.00 0.00 C ATOM 413 NH1 ARG A 26 -16.666 9.109 -1.862 1.00 0.00 N ATOM 414 NH2 ARG A 26 -16.904 8.350 -4.019 1.00 0.00 N ATOM 0 H ARG A 26 -11.573 5.009 1.605 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.756 6.812 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.023 7.123 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.830 5.407 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.712 6.550 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.862 5.375 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.113 7.202 -0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.968 8.372 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.942 6.927 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.176 9.090 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.465 9.729 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.597 7.747 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.703 8.970 -4.149 1.00 0.00 H new ATOM 428 N LEU A 27 -14.363 3.773 0.273 1.00 0.00 N ATOM 429 CA LEU A 27 -15.465 2.864 -0.033 1.00 0.00 C ATOM 430 C LEU A 27 -16.258 2.512 1.217 1.00 0.00 C ATOM 431 O LEU A 27 -17.447 2.214 1.134 1.00 0.00 O ATOM 432 CB LEU A 27 -14.978 1.580 -0.707 1.00 0.00 C ATOM 433 CG LEU A 27 -14.670 1.693 -2.203 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.486 2.604 -2.465 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.424 0.323 -2.796 1.00 0.00 C ATOM 0 H LEU A 27 -13.433 3.383 0.123 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.116 3.393 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.078 1.240 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.735 0.808 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.540 2.137 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.299 2.658 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.703 3.602 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.604 2.208 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.207 0.421 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.577 -0.144 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.311 -0.296 -2.662 1.00 0.00 H new ATOM 447 N LYS A 28 -15.604 2.547 2.373 1.00 0.00 N ATOM 448 CA LYS A 28 -16.275 2.270 3.638 1.00 0.00 C ATOM 449 C LYS A 28 -17.457 3.216 3.837 1.00 0.00 C ATOM 450 O LYS A 28 -18.514 2.814 4.329 1.00 0.00 O ATOM 451 CB LYS A 28 -15.291 2.402 4.802 1.00 0.00 C ATOM 452 CG LYS A 28 -15.831 1.875 6.122 1.00 0.00 C ATOM 453 CD LYS A 28 -16.140 0.389 6.039 1.00 0.00 C ATOM 454 CE LYS A 28 -16.654 -0.152 7.362 1.00 0.00 C ATOM 455 NZ LYS A 28 -15.649 -0.018 8.450 1.00 0.00 N ATOM 0 H LYS A 28 -14.611 2.764 2.460 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.651 1.247 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.375 1.866 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.023 3.452 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.102 2.053 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.734 2.422 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.883 0.215 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.241 -0.154 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.563 0.380 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.922 -1.202 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.936 -0.601 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.721 -0.336 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.586 0.978 8.744 1.00 0.00 H new ATOM 469 N LYS A 29 -17.278 4.468 3.437 1.00 0.00 N ATOM 470 CA LYS A 29 -18.332 5.458 3.520 1.00 0.00 C ATOM 471 C LYS A 29 -19.409 5.183 2.480 1.00 0.00 C ATOM 472 O LYS A 29 -20.586 5.424 2.718 1.00 0.00 O ATOM 473 CB LYS A 29 -17.751 6.852 3.318 1.00 0.00 C ATOM 474 CG LYS A 29 -16.750 7.264 4.387 1.00 0.00 C ATOM 475 CD LYS A 29 -17.403 7.408 5.756 1.00 0.00 C ATOM 476 CE LYS A 29 -18.463 8.499 5.764 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.911 9.815 5.347 1.00 0.00 N ATOM 0 H LYS A 29 -16.403 4.820 3.049 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.787 5.401 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.265 6.894 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.566 7.575 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.953 6.523 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.287 8.210 4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.856 6.459 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.640 7.637 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -19.277 8.219 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.888 8.585 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -18.594 10.566 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.020 9.994 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.732 9.807 4.323 1.00 0.00 H new ATOM 491 N LEU A 30 -18.996 4.660 1.331 1.00 0.00 N ATOM 492 CA LEU A 30 -19.927 4.329 0.258 1.00 0.00 C ATOM 493 C LEU A 30 -20.812 3.153 0.655 1.00 0.00 C ATOM 494 O LEU A 30 -21.945 3.031 0.188 1.00 0.00 O ATOM 495 CB LEU A 30 -19.168 3.998 -1.029 1.00 0.00 C ATOM 496 CG LEU A 30 -18.316 5.133 -1.599 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.598 4.675 -2.856 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.177 6.353 -1.893 1.00 0.00 C ATOM 0 H LEU A 30 -18.020 4.456 1.118 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.560 5.199 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.521 3.141 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.889 3.692 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.570 5.411 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.996 5.494 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.951 3.830 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.331 4.371 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.553 7.150 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.946 6.089 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.650 6.695 -0.972 1.00 0.00 H new ATOM 510 N VAL A 31 -20.286 2.288 1.514 1.00 0.00 N ATOM 511 CA VAL A 31 -21.046 1.154 2.021 1.00 0.00 C ATOM 512 C VAL A 31 -22.013 1.618 3.111 1.00 0.00 C ATOM 513 O VAL A 31 -23.065 1.016 3.329 1.00 0.00 O ATOM 514 CB VAL A 31 -20.112 0.046 2.577 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.912 -1.155 3.058 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.103 -0.387 1.526 1.00 0.00 C ATOM 0 H VAL A 31 -19.334 2.351 1.874 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.611 0.731 1.190 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.574 0.464 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.232 -1.915 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.594 -0.845 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.485 -1.567 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.459 -1.164 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.630 -0.776 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.496 0.468 1.231 1.00 0.00 H new ATOM 526 N GLY A 32 -21.662 2.718 3.766 1.00 0.00 N ATOM 527 CA GLY A 32 -22.485 3.238 4.838 1.00 0.00 C ATOM 528 C GLY A 32 -23.528 4.223 4.346 1.00 0.00 C ATOM 529 O GLY A 32 -24.724 4.038 4.579 1.00 0.00 O ATOM 0 H GLY A 32 -20.820 3.259 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.982 2.410 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.848 3.726 5.576 1.00 0.00 H new ATOM 533 N GLU A 33 -23.082 5.263 3.659 1.00 0.00 N ATOM 534 CA GLU A 33 -23.977 6.306 3.183 1.00 0.00 C ATOM 535 C GLU A 33 -23.403 6.964 1.933 1.00 0.00 C ATOM 536 O GLU A 33 -22.545 7.861 2.065 1.00 0.00 O ATOM 537 CB GLU A 33 -24.206 7.351 4.280 1.00 0.00 C ATOM 538 CG GLU A 33 -25.184 8.448 3.891 1.00 0.00 C ATOM 539 CD GLU A 33 -25.401 9.455 5.002 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.602 10.408 5.103 1.00 0.00 O ATOM 541 OE2 GLU A 33 -26.370 9.289 5.771 1.00 0.00 O ATOM 542 OXT GLU A 33 -23.817 6.582 0.819 1.00 0.00 O ATOM 0 H GLU A 33 -22.101 5.407 3.418 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.936 5.855 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.575 6.849 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -23.250 7.805 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.813 8.964 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.140 7.999 3.621 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.338 -1.669 3.130 1.00 0.00 N ATOM 551 CA GLY B 1 24.918 -3.023 3.563 1.00 0.00 C ATOM 552 C GLY B 1 23.444 -3.077 3.886 1.00 0.00 C ATOM 553 O GLY B 1 22.718 -2.113 3.627 1.00 0.00 O ATOM 0 H1 GLY B 1 25.863 -1.738 2.235 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.497 -1.072 2.993 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.948 -1.246 3.858 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.144 -3.743 2.776 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.493 -3.319 4.440 1.00 0.00 H new ATOM 559 N SER B 2 23.001 -4.209 4.437 1.00 0.00 N ATOM 560 CA SER B 2 21.598 -4.391 4.824 1.00 0.00 C ATOM 561 C SER B 2 20.721 -4.414 3.575 1.00 0.00 C ATOM 562 O SER B 2 19.555 -4.013 3.598 1.00 0.00 O ATOM 563 CB SER B 2 21.163 -3.274 5.787 1.00 0.00 C ATOM 564 OG SER B 2 19.813 -3.423 6.192 1.00 0.00 O ATOM 0 H SER B 2 23.595 -5.017 4.626 1.00 0.00 H new ATOM 0 HA SER B 2 21.485 -5.343 5.343 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.808 -3.280 6.665 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.292 -2.306 5.303 1.00 0.00 H new ATOM 0 HG SER B 2 19.573 -2.696 6.804 1.00 0.00 H new ATOM 570 N MET B 3 21.296 -4.911 2.488 1.00 0.00 N ATOM 571 CA MET B 3 20.633 -4.917 1.197 1.00 0.00 C ATOM 572 C MET B 3 19.387 -5.792 1.229 1.00 0.00 C ATOM 573 O MET B 3 18.326 -5.389 0.753 1.00 0.00 O ATOM 574 CB MET B 3 21.594 -5.409 0.118 1.00 0.00 C ATOM 575 CG MET B 3 21.071 -5.219 -1.297 1.00 0.00 C ATOM 576 SD MET B 3 20.752 -3.486 -1.686 1.00 0.00 S ATOM 577 CE MET B 3 20.187 -3.611 -3.380 1.00 0.00 C ATOM 0 H MET B 3 22.231 -5.319 2.479 1.00 0.00 H new ATOM 0 HA MET B 3 20.327 -3.897 0.964 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.542 -4.881 0.220 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.799 -6.467 0.281 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.795 -5.620 -2.006 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.152 -5.792 -1.422 1.00 0.00 H new ATOM 0 HE1 MET B 3 19.951 -2.617 -3.759 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.971 -4.056 -3.993 1.00 0.00 H new ATOM 0 HE3 MET B 3 19.295 -4.236 -3.421 1.00 0.00 H new ATOM 587 N LYS B 4 19.515 -6.977 1.818 1.00 0.00 N ATOM 588 CA LYS B 4 18.406 -7.920 1.884 1.00 0.00 C ATOM 589 C LYS B 4 17.259 -7.334 2.701 1.00 0.00 C ATOM 590 O LYS B 4 16.089 -7.524 2.369 1.00 0.00 O ATOM 591 CB LYS B 4 18.860 -9.252 2.488 1.00 0.00 C ATOM 592 CG LYS B 4 17.774 -10.316 2.502 1.00 0.00 C ATOM 593 CD LYS B 4 18.254 -11.612 3.137 1.00 0.00 C ATOM 594 CE LYS B 4 19.376 -12.253 2.335 1.00 0.00 C ATOM 595 NZ LYS B 4 19.791 -13.558 2.911 1.00 0.00 N ATOM 0 H LYS B 4 20.375 -7.306 2.256 1.00 0.00 H new ATOM 0 HA LYS B 4 18.055 -8.105 0.869 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.715 -9.625 1.924 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.202 -9.081 3.509 1.00 0.00 H new ATOM 0 HG2 LYS B 4 16.908 -9.943 3.049 1.00 0.00 H new ATOM 0 HG3 LYS B 4 17.446 -10.512 1.481 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.600 -11.413 4.151 1.00 0.00 H new ATOM 0 HD3 LYS B 4 17.420 -12.309 3.216 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.050 -12.398 1.305 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.233 -11.580 2.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.557 -13.963 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 20.126 -13.417 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 18.980 -14.209 2.915 1.00 0.00 H new ATOM 609 N GLN B 5 17.601 -6.603 3.758 1.00 0.00 N ATOM 610 CA GLN B 5 16.598 -5.954 4.593 1.00 0.00 C ATOM 611 C GLN B 5 15.774 -4.967 3.774 1.00 0.00 C ATOM 612 O GLN B 5 14.551 -4.944 3.869 1.00 0.00 O ATOM 613 CB GLN B 5 17.255 -5.229 5.767 1.00 0.00 C ATOM 614 CG GLN B 5 17.867 -6.157 6.807 1.00 0.00 C ATOM 615 CD GLN B 5 16.837 -7.057 7.458 1.00 0.00 C ATOM 616 OE1 GLN B 5 16.206 -6.684 8.448 1.00 0.00 O ATOM 617 NE2 GLN B 5 16.669 -8.254 6.922 1.00 0.00 N ATOM 0 H GLN B 5 18.564 -6.446 4.055 1.00 0.00 H new ATOM 0 HA GLN B 5 15.937 -6.728 4.984 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.032 -4.568 5.383 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.511 -4.597 6.252 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.635 -6.770 6.335 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.362 -5.562 7.574 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.211 -8.526 6.102 1.00 0.00 H new ATOM 0 HE22 GLN B 5 15.998 -8.905 7.329 1.00 0.00 H new ATOM 626 N LEU B 6 16.450 -4.170 2.953 1.00 0.00 N ATOM 627 CA LEU B 6 15.771 -3.192 2.108 1.00 0.00 C ATOM 628 C LEU B 6 14.976 -3.887 1.006 1.00 0.00 C ATOM 629 O LEU B 6 13.897 -3.431 0.625 1.00 0.00 O ATOM 630 CB LEU B 6 16.773 -2.201 1.499 1.00 0.00 C ATOM 631 CG LEU B 6 17.127 -0.992 2.377 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.789 -1.424 3.677 1.00 0.00 C ATOM 633 CD2 LEU B 6 18.029 -0.030 1.619 1.00 0.00 C ATOM 0 H LEU B 6 17.465 -4.181 2.854 1.00 0.00 H new ATOM 0 HA LEU B 6 15.077 -2.634 2.736 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.692 -2.739 1.265 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.368 -1.836 0.555 1.00 0.00 H new ATOM 0 HG LEU B 6 16.198 -0.481 2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.026 -0.544 4.274 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.110 -2.069 4.235 1.00 0.00 H new ATOM 0 HD13 LEU B 6 18.706 -1.970 3.455 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.270 0.821 2.256 1.00 0.00 H new ATOM 0 HD22 LEU B 6 18.948 -0.542 1.334 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.516 0.321 0.724 1.00 0.00 H new ATOM 645 N GLU B 7 15.504 -5.000 0.506 1.00 0.00 N ATOM 646 CA GLU B 7 14.808 -5.783 -0.508 1.00 0.00 C ATOM 647 C GLU B 7 13.534 -6.396 0.064 1.00 0.00 C ATOM 648 O GLU B 7 12.504 -6.448 -0.605 1.00 0.00 O ATOM 649 CB GLU B 7 15.717 -6.880 -1.066 1.00 0.00 C ATOM 650 CG GLU B 7 16.938 -6.350 -1.802 1.00 0.00 C ATOM 651 CD GLU B 7 16.576 -5.453 -2.971 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.329 -5.985 -4.072 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.542 -4.218 -2.782 1.00 0.00 O ATOM 0 H GLU B 7 16.409 -5.379 0.786 1.00 0.00 H new ATOM 0 HA GLU B 7 14.536 -5.112 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.047 -7.517 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.139 -7.507 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.565 -5.795 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.531 -7.190 -2.164 1.00 0.00 H new ATOM 660 N ASP B 8 13.602 -6.851 1.309 1.00 0.00 N ATOM 661 CA ASP B 8 12.428 -7.395 1.981 1.00 0.00 C ATOM 662 C ASP B 8 11.476 -6.279 2.381 1.00 0.00 C ATOM 663 O ASP B 8 10.263 -6.474 2.419 1.00 0.00 O ATOM 664 CB ASP B 8 12.818 -8.204 3.220 1.00 0.00 C ATOM 665 CG ASP B 8 13.357 -9.580 2.880 1.00 0.00 C ATOM 666 OD1 ASP B 8 12.544 -10.470 2.557 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.587 -9.770 2.945 1.00 0.00 O ATOM 0 H ASP B 8 14.453 -6.854 1.872 1.00 0.00 H new ATOM 0 HA ASP B 8 11.929 -8.061 1.277 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.570 -7.654 3.785 1.00 0.00 H new ATOM 0 HB3 ASP B 8 11.948 -8.310 3.867 1.00 0.00 H new ATOM 672 N LYS B 9 12.039 -5.116 2.680 1.00 0.00 N ATOM 673 CA LYS B 9 11.256 -3.949 3.065 1.00 0.00 C ATOM 674 C LYS B 9 10.334 -3.517 1.930 1.00 0.00 C ATOM 675 O LYS B 9 9.128 -3.370 2.125 1.00 0.00 O ATOM 676 CB LYS B 9 12.182 -2.794 3.457 1.00 0.00 C ATOM 677 CG LYS B 9 11.447 -1.563 3.966 1.00 0.00 C ATOM 678 CD LYS B 9 12.405 -0.420 4.272 1.00 0.00 C ATOM 679 CE LYS B 9 13.361 -0.765 5.407 1.00 0.00 C ATOM 680 NZ LYS B 9 12.644 -1.021 6.686 1.00 0.00 N ATOM 0 H LYS B 9 13.046 -4.955 2.663 1.00 0.00 H new ATOM 0 HA LYS B 9 10.642 -4.219 3.924 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.871 -3.139 4.228 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.785 -2.514 2.593 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.721 -1.239 3.221 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.888 -1.819 4.866 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.978 -0.177 3.377 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.834 0.470 4.536 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.942 -1.646 5.135 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.068 0.053 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.329 -1.050 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.956 -0.260 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.145 -1.932 6.628 1.00 0.00 H new ATOM 694 N VAL B 10 10.900 -3.335 0.740 1.00 0.00 N ATOM 695 CA VAL B 10 10.120 -2.897 -0.411 1.00 0.00 C ATOM 696 C VAL B 10 9.082 -3.950 -0.805 1.00 0.00 C ATOM 697 O VAL B 10 7.969 -3.613 -1.199 1.00 0.00 O ATOM 698 CB VAL B 10 11.019 -2.541 -1.624 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.842 -3.735 -2.083 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.181 -1.994 -2.772 1.00 0.00 C ATOM 0 H VAL B 10 11.891 -3.483 0.549 1.00 0.00 H new ATOM 0 HA VAL B 10 9.598 -1.988 -0.112 1.00 0.00 H new ATOM 0 HB VAL B 10 11.715 -1.767 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.459 -3.446 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.483 -4.070 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.175 -4.545 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.831 -1.750 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.453 -2.744 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.659 -1.095 -2.445 1.00 0.00 H new ATOM 710 N GLU B 11 9.438 -5.226 -0.667 1.00 0.00 N ATOM 711 CA GLU B 11 8.500 -6.310 -0.950 1.00 0.00 C ATOM 712 C GLU B 11 7.385 -6.331 0.085 1.00 0.00 C ATOM 713 O GLU B 11 6.240 -6.655 -0.229 1.00 0.00 O ATOM 714 CB GLU B 11 9.212 -7.661 -0.971 1.00 0.00 C ATOM 715 CG GLU B 11 10.186 -7.823 -2.123 1.00 0.00 C ATOM 716 CD GLU B 11 10.819 -9.198 -2.147 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.369 -10.045 -2.944 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.762 -9.428 -1.362 1.00 0.00 O ATOM 0 H GLU B 11 10.362 -5.533 -0.363 1.00 0.00 H new ATOM 0 HA GLU B 11 8.070 -6.131 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU B 11 9.750 -7.792 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.466 -8.454 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.665 -7.648 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.967 -7.067 -2.046 1.00 0.00 H new ATOM 725 N GLU B 12 7.731 -5.996 1.320 1.00 0.00 N ATOM 726 CA GLU B 12 6.748 -5.908 2.390 1.00 0.00 C ATOM 727 C GLU B 12 5.687 -4.851 2.076 1.00 0.00 C ATOM 728 O GLU B 12 4.493 -5.134 2.139 1.00 0.00 O ATOM 729 CB GLU B 12 7.433 -5.601 3.722 1.00 0.00 C ATOM 730 CG GLU B 12 6.491 -5.652 4.913 1.00 0.00 C ATOM 731 CD GLU B 12 7.205 -5.463 6.235 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.682 -6.467 6.800 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.286 -4.312 6.706 1.00 0.00 O ATOM 0 H GLU B 12 8.686 -5.781 1.606 1.00 0.00 H new ATOM 0 HA GLU B 12 6.249 -6.873 2.470 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.243 -6.314 3.878 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.886 -4.611 3.669 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.731 -4.879 4.802 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.972 -6.611 4.919 1.00 0.00 H new ATOM 740 N LEU B 13 6.114 -3.634 1.748 1.00 0.00 N ATOM 741 CA LEU B 13 5.163 -2.593 1.343 1.00 0.00 C ATOM 742 C LEU B 13 4.485 -2.932 0.018 1.00 0.00 C ATOM 743 O LEU B 13 3.328 -2.567 -0.198 1.00 0.00 O ATOM 744 CB LEU B 13 5.806 -1.205 1.274 1.00 0.00 C ATOM 745 CG LEU B 13 6.051 -0.556 2.636 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.293 -1.120 3.304 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.151 0.953 2.503 1.00 0.00 C ATOM 0 H LEU B 13 7.092 -3.344 1.753 1.00 0.00 H new ATOM 0 HA LEU B 13 4.401 -2.562 2.121 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.756 -1.284 0.746 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.166 -0.550 0.683 1.00 0.00 H new ATOM 0 HG LEU B 13 5.197 -0.790 3.272 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.438 -0.637 4.270 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.172 -2.193 3.450 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.162 -0.935 2.672 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.325 1.394 3.484 1.00 0.00 H new ATOM 0 HD22 LEU B 13 6.978 1.206 1.839 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.221 1.344 2.089 1.00 0.00 H new ATOM 759 N LEU B 14 5.198 -3.625 -0.867 1.00 0.00 N ATOM 760 CA LEU B 14 4.597 -4.159 -2.082 1.00 0.00 C ATOM 761 C LEU B 14 3.428 -5.063 -1.701 1.00 0.00 C ATOM 762 O LEU B 14 2.379 -5.050 -2.338 1.00 0.00 O ATOM 763 CB LEU B 14 5.668 -4.913 -2.900 1.00 0.00 C ATOM 764 CG LEU B 14 5.235 -5.556 -4.229 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.472 -6.853 -4.001 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.412 -4.586 -5.066 1.00 0.00 C ATOM 0 H LEU B 14 6.192 -3.829 -0.764 1.00 0.00 H new ATOM 0 HA LEU B 14 4.213 -3.353 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.478 -4.216 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.081 -5.698 -2.267 1.00 0.00 H new ATOM 0 HG LEU B 14 6.142 -5.798 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.182 -7.278 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.107 -7.560 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.579 -6.651 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.120 -5.068 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.519 -4.295 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.007 -3.700 -5.286 1.00 0.00 H new ATOM 778 N SER B 15 3.618 -5.834 -0.645 1.00 0.00 N ATOM 779 CA SER B 15 2.556 -6.663 -0.106 1.00 0.00 C ATOM 780 C SER B 15 1.465 -5.792 0.523 1.00 0.00 C ATOM 781 O SER B 15 0.277 -6.070 0.360 1.00 0.00 O ATOM 782 CB SER B 15 3.124 -7.638 0.926 1.00 0.00 C ATOM 783 OG SER B 15 4.200 -8.384 0.377 1.00 0.00 O ATOM 0 H SER B 15 4.503 -5.903 -0.142 1.00 0.00 H new ATOM 0 HA SER B 15 2.111 -7.236 -0.920 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.467 -7.088 1.802 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.340 -8.316 1.262 1.00 0.00 H new ATOM 0 HG SER B 15 4.966 -7.791 0.228 1.00 0.00 H new ATOM 789 N LYS B 16 1.868 -4.728 1.221 1.00 0.00 N ATOM 790 CA LYS B 16 0.912 -3.832 1.865 1.00 0.00 C ATOM 791 C LYS B 16 -0.026 -3.185 0.849 1.00 0.00 C ATOM 792 O LYS B 16 -1.247 -3.288 0.980 1.00 0.00 O ATOM 793 CB LYS B 16 1.629 -2.752 2.675 1.00 0.00 C ATOM 794 CG LYS B 16 2.354 -3.286 3.900 1.00 0.00 C ATOM 795 CD LYS B 16 3.024 -2.171 4.693 1.00 0.00 C ATOM 796 CE LYS B 16 2.015 -1.164 5.230 1.00 0.00 C ATOM 797 NZ LYS B 16 1.033 -1.789 6.155 1.00 0.00 N ATOM 0 H LYS B 16 2.846 -4.469 1.353 1.00 0.00 H new ATOM 0 HA LYS B 16 0.313 -4.440 2.543 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.347 -2.245 2.031 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.901 -2.005 2.992 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.646 -3.812 4.540 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.105 -4.013 3.590 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.582 -2.603 5.524 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.745 -1.657 4.057 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.544 -0.365 5.750 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.484 -0.705 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.488 -1.046 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.386 -2.397 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.537 -2.362 6.862 1.00 0.00 H new ATOM 811 N ASN B 17 0.531 -2.535 -0.171 1.00 0.00 N ATOM 812 CA ASN B 17 -0.299 -1.859 -1.164 1.00 0.00 C ATOM 813 C ASN B 17 -1.035 -2.866 -2.041 1.00 0.00 C ATOM 814 O ASN B 17 -2.017 -2.526 -2.694 1.00 0.00 O ATOM 815 CB ASN B 17 0.509 -0.851 -2.014 1.00 0.00 C ATOM 816 CG ASN B 17 1.694 -1.428 -2.789 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.557 -2.619 -3.345 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 2.723 -0.771 -2.922 1.00 0.00 N flip ATOM 0 H ASN B 17 1.536 -2.463 -0.330 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.045 -1.281 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.169 -0.379 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.879 -0.065 -1.356 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.803 0.146 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN B 17 3.498 -1.142 -3.472 1.00 0.00 H new ATOM 825 N TYR B 18 -0.559 -4.106 -2.042 1.00 0.00 N ATOM 826 CA TYR B 18 -1.227 -5.181 -2.765 1.00 0.00 C ATOM 827 C TYR B 18 -2.465 -5.639 -2.001 1.00 0.00 C ATOM 828 O TYR B 18 -3.547 -5.759 -2.571 1.00 0.00 O ATOM 829 CB TYR B 18 -0.271 -6.356 -2.985 1.00 0.00 C ATOM 830 CG TYR B 18 -0.923 -7.569 -3.610 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.354 -7.552 -4.931 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.107 -8.733 -2.876 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.952 -8.661 -5.499 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.701 -9.844 -3.437 1.00 0.00 C ATOM 835 CZ TYR B 18 -2.123 -9.803 -4.748 1.00 0.00 C ATOM 836 OH TYR B 18 -2.724 -10.908 -5.307 1.00 0.00 O ATOM 0 H TYR B 18 0.288 -4.392 -1.550 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.537 -4.804 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.550 -6.029 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.163 -6.642 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.220 -6.659 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.779 -8.769 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.284 -8.632 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.835 -10.742 -2.852 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.766 -11.628 -4.644 1.00 0.00 H new ATOM 846 N HIS B 19 -2.301 -5.880 -0.704 1.00 0.00 N ATOM 847 CA HIS B 19 -3.412 -6.307 0.137 1.00 0.00 C ATOM 848 C HIS B 19 -4.467 -5.217 0.227 1.00 0.00 C ATOM 849 O HIS B 19 -5.660 -5.492 0.139 1.00 0.00 O ATOM 850 CB HIS B 19 -2.932 -6.688 1.540 1.00 0.00 C ATOM 851 CG HIS B 19 -2.311 -8.049 1.614 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.199 -8.550 1.029 1.00 0.00 N flip ATOM 853 CD2 HIS B 19 -2.833 -9.071 2.374 1.00 0.00 C flip ATOM 854 CE1 HIS B 19 -1.073 -9.851 1.439 1.00 0.00 C flip ATOM 855 NE2 HIS B 19 -2.071 -10.141 2.250 1.00 0.00 N flip ATOM 0 H HIS B 19 -1.411 -5.787 -0.214 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.854 -7.190 -0.325 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.207 -5.948 1.880 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.777 -6.646 2.228 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.571 -8.051 0.399 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.726 -9.007 2.977 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.285 -10.529 1.146 1.00 0.00 H new ATOM 864 N LEU B 20 -4.021 -3.976 0.388 1.00 0.00 N ATOM 865 CA LEU B 20 -4.935 -2.841 0.451 1.00 0.00 C ATOM 866 C LEU B 20 -5.637 -2.636 -0.886 1.00 0.00 C ATOM 867 O LEU B 20 -6.796 -2.228 -0.927 1.00 0.00 O ATOM 868 CB LEU B 20 -4.198 -1.569 0.874 1.00 0.00 C ATOM 869 CG LEU B 20 -4.214 -1.266 2.379 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.617 -0.908 2.837 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.700 -2.447 3.181 1.00 0.00 C ATOM 0 H LEU B 20 -3.035 -3.731 0.477 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.692 -3.061 1.204 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.161 -1.645 0.547 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.637 -0.723 0.346 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.554 -0.416 2.551 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.608 -0.697 3.906 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.963 -0.027 2.296 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.289 -1.743 2.638 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.723 -2.203 4.243 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.331 -3.316 2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.676 -2.672 2.882 1.00 0.00 H new ATOM 883 N GLU B 21 -4.940 -2.936 -1.978 1.00 0.00 N ATOM 884 CA GLU B 21 -5.547 -2.886 -3.304 1.00 0.00 C ATOM 885 C GLU B 21 -6.682 -3.901 -3.388 1.00 0.00 C ATOM 886 O GLU B 21 -7.747 -3.624 -3.947 1.00 0.00 O ATOM 887 CB GLU B 21 -4.502 -3.174 -4.385 1.00 0.00 C ATOM 888 CG GLU B 21 -5.037 -3.040 -5.802 1.00 0.00 C ATOM 889 CD GLU B 21 -4.006 -3.398 -6.854 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.303 -2.485 -7.332 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.903 -4.591 -7.199 1.00 0.00 O ATOM 0 H GLU B 21 -3.959 -3.215 -1.971 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.946 -1.885 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.662 -2.491 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.116 -4.184 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.908 -3.684 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.374 -2.016 -5.963 1.00 0.00 H new ATOM 898 N ASN B 22 -6.448 -5.072 -2.805 1.00 0.00 N ATOM 899 CA ASN B 22 -7.458 -6.121 -2.749 1.00 0.00 C ATOM 900 C ASN B 22 -8.638 -5.684 -1.889 1.00 0.00 C ATOM 901 O ASN B 22 -9.771 -6.112 -2.104 1.00 0.00 O ATOM 902 CB ASN B 22 -6.876 -7.424 -2.184 1.00 0.00 C ATOM 903 CG ASN B 22 -5.816 -8.044 -3.075 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.818 -7.858 -4.293 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.912 -8.805 -2.478 1.00 0.00 N ATOM 0 H ASN B 22 -5.563 -5.319 -2.363 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.798 -6.301 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.445 -7.226 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.684 -8.141 -2.039 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.185 -9.261 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.943 -8.935 -1.467 1.00 0.00 H new ATOM 912 N GLU B 23 -8.364 -4.819 -0.918 1.00 0.00 N ATOM 913 CA GLU B 23 -9.393 -4.344 -0.002 1.00 0.00 C ATOM 914 C GLU B 23 -10.339 -3.371 -0.699 1.00 0.00 C ATOM 915 O GLU B 23 -11.543 -3.388 -0.453 1.00 0.00 O ATOM 916 CB GLU B 23 -8.768 -3.670 1.223 1.00 0.00 C ATOM 917 CG GLU B 23 -7.852 -4.574 2.033 1.00 0.00 C ATOM 918 CD GLU B 23 -8.541 -5.834 2.523 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.430 -5.725 3.394 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.184 -6.929 2.042 1.00 0.00 O ATOM 0 H GLU B 23 -7.436 -4.432 -0.746 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.964 -5.212 0.328 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.202 -2.798 0.895 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.566 -3.306 1.870 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.992 -4.851 1.423 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.469 -4.020 2.890 1.00 0.00 H new ATOM 927 N VAL B 24 -9.798 -2.533 -1.578 1.00 0.00 N ATOM 928 CA VAL B 24 -10.622 -1.573 -2.309 1.00 0.00 C ATOM 929 C VAL B 24 -11.485 -2.304 -3.341 1.00 0.00 C ATOM 930 O VAL B 24 -12.538 -1.818 -3.750 1.00 0.00 O ATOM 931 CB VAL B 24 -9.772 -0.473 -2.997 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.657 0.650 -3.534 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.749 0.089 -2.027 1.00 0.00 C ATOM 0 H VAL B 24 -8.803 -2.498 -1.801 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.265 -1.074 -1.585 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.250 -0.929 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.035 1.407 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.358 0.244 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.211 1.102 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.161 0.860 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.262 0.522 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.089 -0.711 -1.690 1.00 0.00 H new ATOM 943 N ALA B 25 -11.046 -3.489 -3.746 1.00 0.00 N ATOM 944 CA ALA B 25 -11.862 -4.341 -4.605 1.00 0.00 C ATOM 945 C ALA B 25 -12.901 -5.080 -3.766 1.00 0.00 C ATOM 946 O ALA B 25 -14.000 -5.386 -4.228 1.00 0.00 O ATOM 947 CB ALA B 25 -10.993 -5.328 -5.368 1.00 0.00 C ATOM 0 H ALA B 25 -10.138 -3.880 -3.497 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.376 -3.713 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.622 -5.953 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.281 -4.783 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.451 -5.957 -4.662 1.00 0.00 H new ATOM 953 N ARG B 26 -12.528 -5.353 -2.522 1.00 0.00 N ATOM 954 CA ARG B 26 -13.403 -6.006 -1.556 1.00 0.00 C ATOM 955 C ARG B 26 -14.622 -5.134 -1.251 1.00 0.00 C ATOM 956 O ARG B 26 -15.761 -5.570 -1.429 1.00 0.00 O ATOM 957 CB ARG B 26 -12.593 -6.327 -0.285 1.00 0.00 C ATOM 958 CG ARG B 26 -13.400 -6.463 0.999 1.00 0.00 C ATOM 959 CD ARG B 26 -14.465 -7.546 0.907 1.00 0.00 C ATOM 960 NE ARG B 26 -15.234 -7.649 2.145 1.00 0.00 N ATOM 961 CZ ARG B 26 -16.272 -8.464 2.318 1.00 0.00 C ATOM 962 NH1 ARG B 26 -16.681 -9.244 1.326 1.00 0.00 N ATOM 963 NH2 ARG B 26 -16.907 -8.490 3.483 1.00 0.00 N ATOM 0 H ARG B 26 -11.605 -5.126 -2.153 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.782 -6.939 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.048 -7.257 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -11.850 -5.543 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.726 -6.690 1.825 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.875 -5.509 1.228 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -15.137 -7.327 0.077 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.993 -8.504 0.690 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.957 -7.057 2.928 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -16.200 -9.220 0.427 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -17.477 -9.867 1.462 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -16.600 -7.886 4.245 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -17.703 -9.114 3.616 1.00 0.00 H new ATOM 977 N LEU B 27 -14.386 -3.905 -0.806 1.00 0.00 N ATOM 978 CA LEU B 27 -15.484 -2.996 -0.491 1.00 0.00 C ATOM 979 C LEU B 27 -16.282 -2.639 -1.736 1.00 0.00 C ATOM 980 O LEU B 27 -17.469 -2.341 -1.646 1.00 0.00 O ATOM 981 CB LEU B 27 -14.992 -1.714 0.183 1.00 0.00 C ATOM 982 CG LEU B 27 -14.678 -1.830 1.678 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.495 -2.744 1.933 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.425 -0.464 2.275 1.00 0.00 C ATOM 0 H LEU B 27 -13.455 -3.517 -0.656 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.131 -3.526 0.208 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.094 -1.375 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.748 -0.941 0.048 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.549 -2.272 2.162 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.303 -2.801 3.005 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -13.716 -3.741 1.551 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.614 -2.349 1.427 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.204 -0.567 3.337 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.578 0.002 1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.311 0.159 2.147 1.00 0.00 H new ATOM 996 N LYS B 28 -15.632 -2.668 -2.895 1.00 0.00 N ATOM 997 CA LYS B 28 -16.308 -2.385 -4.156 1.00 0.00 C ATOM 998 C LYS B 28 -17.492 -3.329 -4.354 1.00 0.00 C ATOM 999 O LYS B 28 -18.550 -2.923 -4.836 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.329 -2.513 -5.325 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.873 -1.981 -6.640 1.00 0.00 C ATOM 1002 CD LYS B 28 -16.178 -0.492 -6.550 1.00 0.00 C ATOM 1003 CE LYS B 28 -16.699 0.054 -7.867 1.00 0.00 C ATOM 1004 NZ LYS B 28 -15.705 -0.081 -8.963 1.00 0.00 N ATOM 0 H LYS B 28 -14.639 -2.884 -2.987 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.683 -1.362 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.412 -1.978 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.062 -3.562 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.148 -2.159 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.779 -2.525 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.916 -0.318 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.275 0.048 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -17.613 -0.473 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.962 1.105 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.997 0.506 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.772 0.232 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.649 -1.076 -9.260 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.313 -4.584 -3.960 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.371 -5.570 -4.044 1.00 0.00 C ATOM 1020 C LYS B 29 -19.443 -5.300 -2.996 1.00 0.00 C ATOM 1021 O LYS B 29 -20.621 -5.552 -3.227 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.791 -6.965 -3.850 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.796 -7.368 -4.927 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.456 -7.510 -6.291 1.00 0.00 C ATOM 1025 CE LYS B 29 -18.515 -8.605 -6.298 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.956 -9.923 -5.896 1.00 0.00 N ATOM 0 H LYS B 29 -16.437 -4.940 -3.577 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.831 -5.505 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.300 -7.013 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.606 -7.689 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.003 -6.623 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.327 -8.312 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.913 -6.562 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.697 -7.734 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.323 -8.332 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.948 -8.684 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.640 -10.674 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.069 -10.096 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.768 -9.923 -4.873 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.027 -4.780 -1.848 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.956 -4.449 -0.770 1.00 0.00 C ATOM 1042 C LEU B 30 -20.839 -3.268 -1.161 1.00 0.00 C ATOM 1043 O LEU B 30 -21.969 -3.137 -0.689 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.192 -4.126 0.516 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.335 -5.263 1.076 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.609 -4.812 2.332 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.193 -6.485 1.371 1.00 0.00 C ATOM 0 H LEU B 30 -18.050 -4.577 -1.637 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.592 -5.317 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.548 -3.267 0.329 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.910 -3.826 1.279 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.594 -5.535 0.325 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.004 -5.633 2.717 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.964 -3.966 2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.337 -4.513 3.086 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.566 -7.283 1.768 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.957 -6.225 2.104 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.672 -6.824 0.452 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.315 -2.405 -2.021 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.073 -1.268 -2.520 1.00 0.00 C ATOM 1061 C VAL B 31 -22.044 -1.725 -3.610 1.00 0.00 C ATOM 1062 O VAL B 31 -23.093 -1.110 -3.831 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.141 -0.159 -3.074 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.943 1.045 -3.547 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.129 0.269 -2.023 1.00 0.00 C ATOM 0 H VAL B 31 -19.366 -2.472 -2.388 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.633 -0.848 -1.684 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.606 -0.573 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.264 1.807 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.628 0.738 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.513 1.454 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.486 1.047 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.653 0.655 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.521 -0.588 -1.733 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.699 -2.825 -4.270 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.526 -3.343 -5.341 1.00 0.00 C ATOM 1077 C GLY B 32 -23.568 -4.329 -4.848 1.00 0.00 C ATOM 1078 O GLY B 32 -24.766 -4.140 -5.069 1.00 0.00 O ATOM 0 H GLY B 32 -20.857 -3.369 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -23.024 -2.514 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.892 -3.830 -6.082 1.00 0.00 H new ATOM 1082 N GLU B 33 -23.120 -5.372 -4.166 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.012 -6.415 -3.688 1.00 0.00 C ATOM 1084 C GLU B 33 -23.428 -7.081 -2.446 1.00 0.00 C ATOM 1085 O GLU B 33 -22.563 -7.968 -2.593 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.252 -7.452 -4.789 1.00 0.00 C ATOM 1087 CG GLU B 33 -25.223 -8.554 -4.398 1.00 0.00 C ATOM 1088 CD GLU B 33 -25.452 -9.556 -5.513 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.659 -10.514 -5.623 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -26.424 -9.379 -6.276 1.00 0.00 O ATOM 1091 OXT GLU B 33 -23.837 -6.714 -1.324 1.00 0.00 O ATOM 0 H GLU B 33 -22.138 -5.518 -3.931 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.968 -5.964 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.632 -6.944 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -23.298 -7.903 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.841 -9.075 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -26.176 -8.108 -4.114 1.00 0.00 H new TER 1098 GLU B 33