USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 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 -110:sc= -0.274 (180deg=-0.793) USER MOD Set 1.2: B 2 SER OG : rot 180:sc= -0.0453 USER MOD Set 2.1: A 2 SER OG : rot 170:sc= -0.0264 USER MOD Set 2.2: B 3 MET CE :methyl -115:sc= -0.348 (180deg=-0.794) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0822 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.118 K(o=-0.12,f=-3.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 75:sc= 1.26 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0283 (180deg=-0.202) USER MOD Single : A 17 ASN :FLIP amide:sc= -1 F(o=-1.7!,f=-1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0.066) USER MOD Single : A 22 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.76) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0103 (180deg=-0.129) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0241 (180deg=-0.228) USER MOD Single : B 1 GLY N :NH3+ -108:sc= 0.0819 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.103 K(o=-0.1,f=-3.5!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 77:sc= 1.23 USER MOD Single : B 16 LYS NZ :NH3+ 168:sc= -0.0272 (180deg=-0.198) USER MOD Single : B 17 ASN :FLIP amide:sc= -1.05 F(o=-1.7!,f=-1) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0.062) USER MOD Single : B 22 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.76) USER MOD Single : B 28 LYS NZ :NH3+ 169:sc=-0.00781 (180deg=-0.125) USER MOD Single : B 29 LYS NZ :NH3+ 165:sc= -0.026 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.043 6.081 -7.454 1.00 0.00 N ATOM 2 CA GLY A 1 24.220 5.819 -6.252 1.00 0.00 C ATOM 3 C GLY A 1 23.290 4.644 -6.452 1.00 0.00 C ATOM 4 O GLY A 1 22.974 4.285 -7.587 1.00 0.00 O ATOM 0 H1 GLY A 1 26.030 5.815 -7.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.681 5.521 -8.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.997 7.092 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.872 5.625 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.636 6.707 -6.011 1.00 0.00 H new ATOM 10 N SER A 2 22.858 4.042 -5.354 1.00 0.00 N ATOM 11 CA SER A 2 21.957 2.901 -5.417 1.00 0.00 C ATOM 12 C SER A 2 20.985 2.913 -4.237 1.00 0.00 C ATOM 13 O SER A 2 19.771 2.902 -4.432 1.00 0.00 O ATOM 14 CB SER A 2 22.752 1.590 -5.444 1.00 0.00 C ATOM 15 OG SER A 2 21.925 0.488 -5.779 1.00 0.00 O ATOM 0 H SER A 2 23.117 4.325 -4.409 1.00 0.00 H new ATOM 0 HA SER A 2 21.378 2.974 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.564 1.670 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.209 1.420 -4.469 1.00 0.00 H new ATOM 0 HG SER A 2 22.482 -0.300 -5.946 1.00 0.00 H new ATOM 21 N MET A 3 21.514 2.959 -3.012 1.00 0.00 N ATOM 22 CA MET A 3 20.672 2.950 -1.814 1.00 0.00 C ATOM 23 C MET A 3 19.724 4.144 -1.779 1.00 0.00 C ATOM 24 O MET A 3 18.639 4.063 -1.206 1.00 0.00 O ATOM 25 CB MET A 3 21.523 2.930 -0.543 1.00 0.00 C ATOM 26 CG MET A 3 22.373 1.682 -0.405 1.00 0.00 C ATOM 27 SD MET A 3 23.101 1.505 1.238 1.00 0.00 S ATOM 28 CE MET A 3 21.633 1.301 2.247 1.00 0.00 C ATOM 0 H MET A 3 22.516 3.003 -2.824 1.00 0.00 H new ATOM 0 HA MET A 3 20.074 2.040 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.173 3.805 -0.536 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.868 3.012 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.761 0.806 -0.622 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.169 1.707 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.488 2.189 2.863 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.765 1.161 1.603 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.752 0.429 2.890 1.00 0.00 H new ATOM 38 N LYS A 4 20.130 5.246 -2.399 1.00 0.00 N ATOM 39 CA LYS A 4 19.279 6.430 -2.478 1.00 0.00 C ATOM 40 C LYS A 4 18.003 6.117 -3.253 1.00 0.00 C ATOM 41 O LYS A 4 16.925 6.618 -2.928 1.00 0.00 O ATOM 42 CB LYS A 4 20.022 7.596 -3.139 1.00 0.00 C ATOM 43 CG LYS A 4 21.111 8.205 -2.269 1.00 0.00 C ATOM 44 CD LYS A 4 21.829 9.334 -2.989 1.00 0.00 C ATOM 45 CE LYS A 4 22.983 9.876 -2.162 1.00 0.00 C ATOM 46 NZ LYS A 4 23.660 11.017 -2.831 1.00 0.00 N ATOM 0 H LYS A 4 21.038 5.346 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 4 19.014 6.723 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.467 7.249 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.302 8.372 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.672 8.582 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.829 7.434 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.204 8.976 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.124 10.137 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.612 10.195 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.706 9.080 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.441 11.356 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.037 10.707 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.977 11.787 -2.979 1.00 0.00 H new ATOM 60 N GLN A 5 18.129 5.256 -4.256 1.00 0.00 N ATOM 61 CA GLN A 5 16.993 4.863 -5.077 1.00 0.00 C ATOM 62 C GLN A 5 16.026 4.013 -4.265 1.00 0.00 C ATOM 63 O GLN A 5 14.811 4.142 -4.402 1.00 0.00 O ATOM 64 CB GLN A 5 17.466 4.091 -6.308 1.00 0.00 C ATOM 65 CG GLN A 5 18.480 4.850 -7.147 1.00 0.00 C ATOM 66 CD GLN A 5 18.946 4.061 -8.351 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.917 3.309 -8.279 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.258 4.224 -9.468 1.00 0.00 N ATOM 0 H GLN A 5 19.011 4.816 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 5 16.477 5.764 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.906 3.146 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.603 3.847 -6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.039 5.789 -7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.341 5.104 -6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.459 4.857 -9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.527 3.717 -10.311 1.00 0.00 H new ATOM 77 N LEU A 6 16.577 3.157 -3.410 1.00 0.00 N ATOM 78 CA LEU A 6 15.767 2.324 -2.523 1.00 0.00 C ATOM 79 C LEU A 6 15.004 3.189 -1.526 1.00 0.00 C ATOM 80 O LEU A 6 13.821 2.963 -1.274 1.00 0.00 O ATOM 81 CB LEU A 6 16.634 1.307 -1.764 1.00 0.00 C ATOM 82 CG LEU A 6 17.030 0.039 -2.536 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.795 -0.721 -2.994 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.925 0.367 -3.723 1.00 0.00 C ATOM 0 H LEU A 6 17.583 3.021 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 6 15.057 1.778 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.546 1.809 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.099 1.006 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 6 17.597 -0.597 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.099 -1.615 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.202 -1.009 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.197 -0.085 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.186 -0.553 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.397 1.035 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.834 0.854 -3.370 1.00 0.00 H new ATOM 96 N GLU A 7 15.686 4.192 -0.980 1.00 0.00 N ATOM 97 CA GLU A 7 15.076 5.102 -0.016 1.00 0.00 C ATOM 98 C GLU A 7 13.917 5.869 -0.646 1.00 0.00 C ATOM 99 O GLU A 7 12.893 6.106 -0.003 1.00 0.00 O ATOM 100 CB GLU A 7 16.117 6.079 0.529 1.00 0.00 C ATOM 101 CG GLU A 7 17.248 5.400 1.282 1.00 0.00 C ATOM 102 CD GLU A 7 18.277 6.382 1.800 1.00 0.00 C ATOM 103 OE1 GLU A 7 19.171 6.767 1.018 1.00 0.00 O ATOM 104 OE2 GLU A 7 18.191 6.766 2.986 1.00 0.00 O ATOM 0 H GLU A 7 16.663 4.395 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 7 14.685 4.506 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.535 6.652 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.625 6.790 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.835 4.837 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.737 4.681 0.624 1.00 0.00 H new ATOM 111 N ASP A 8 14.075 6.246 -1.907 1.00 0.00 N ATOM 112 CA ASP A 8 13.014 6.944 -2.625 1.00 0.00 C ATOM 113 C ASP A 8 11.934 5.966 -3.074 1.00 0.00 C ATOM 114 O ASP A 8 10.783 6.347 -3.278 1.00 0.00 O ATOM 115 CB ASP A 8 13.569 7.700 -3.836 1.00 0.00 C ATOM 116 CG ASP A 8 14.321 8.959 -3.446 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.564 8.968 -3.557 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.664 9.936 -3.031 1.00 0.00 O ATOM 0 H ASP A 8 14.921 6.082 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 8 12.573 7.668 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.235 7.043 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.748 7.964 -4.502 1.00 0.00 H new ATOM 123 N LYS A 9 12.307 4.703 -3.208 1.00 0.00 N ATOM 124 CA LYS A 9 11.384 3.678 -3.673 1.00 0.00 C ATOM 125 C LYS A 9 10.437 3.262 -2.552 1.00 0.00 C ATOM 126 O LYS A 9 9.224 3.194 -2.748 1.00 0.00 O ATOM 127 CB LYS A 9 12.157 2.462 -4.189 1.00 0.00 C ATOM 128 CG LYS A 9 11.293 1.439 -4.909 1.00 0.00 C ATOM 129 CD LYS A 9 10.725 1.995 -6.204 1.00 0.00 C ATOM 130 CE LYS A 9 9.932 0.941 -6.960 1.00 0.00 C ATOM 131 NZ LYS A 9 9.406 1.458 -8.251 1.00 0.00 N ATOM 0 H LYS A 9 13.246 4.362 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 9 10.793 4.092 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.939 2.803 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.653 1.976 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.885 0.549 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.476 1.129 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.083 2.848 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.537 2.361 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.567 0.075 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.102 0.599 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.872 0.707 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.779 2.268 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.199 1.761 -8.853 1.00 0.00 H new ATOM 145 N VAL A 10 10.994 2.998 -1.375 1.00 0.00 N ATOM 146 CA VAL A 10 10.189 2.589 -0.229 1.00 0.00 C ATOM 147 C VAL A 10 9.207 3.691 0.167 1.00 0.00 C ATOM 148 O VAL A 10 8.052 3.415 0.485 1.00 0.00 O ATOM 149 CB VAL A 10 11.066 2.188 0.986 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.975 3.327 1.421 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.195 1.726 2.146 1.00 0.00 C ATOM 0 H VAL A 10 11.995 3.059 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 10 9.626 1.707 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 10 11.702 1.359 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.574 3.009 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.634 3.602 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.369 4.188 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.828 1.449 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.527 2.534 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.605 0.863 1.837 1.00 0.00 H new ATOM 161 N GLU A 11 9.660 4.942 0.110 1.00 0.00 N ATOM 162 CA GLU A 11 8.803 6.078 0.426 1.00 0.00 C ATOM 163 C GLU A 11 7.673 6.185 -0.597 1.00 0.00 C ATOM 164 O GLU A 11 6.552 6.570 -0.262 1.00 0.00 O ATOM 165 CB GLU A 11 9.625 7.371 0.459 1.00 0.00 C ATOM 166 CG GLU A 11 8.833 8.591 0.904 1.00 0.00 C ATOM 167 CD GLU A 11 9.699 9.828 1.050 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.192 10.078 2.169 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.888 10.543 0.045 1.00 0.00 O ATOM 0 H GLU A 11 10.614 5.192 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 11 8.364 5.925 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.472 7.235 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.033 7.557 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.042 8.789 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.348 8.377 1.856 1.00 0.00 H new ATOM 176 N GLU A 12 7.976 5.835 -1.842 1.00 0.00 N ATOM 177 CA GLU A 12 6.968 5.813 -2.895 1.00 0.00 C ATOM 178 C GLU A 12 5.864 4.802 -2.575 1.00 0.00 C ATOM 179 O GLU A 12 4.688 5.153 -2.565 1.00 0.00 O ATOM 180 CB GLU A 12 7.606 5.491 -4.248 1.00 0.00 C ATOM 181 CG GLU A 12 6.635 5.569 -5.417 1.00 0.00 C ATOM 182 CD GLU A 12 6.055 6.959 -5.612 1.00 0.00 C ATOM 183 OE1 GLU A 12 4.929 7.206 -5.130 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.726 7.799 -6.248 1.00 0.00 O ATOM 0 H GLU A 12 8.911 5.563 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 12 6.519 6.805 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.430 6.182 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.034 4.489 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.147 5.263 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.822 4.861 -5.255 1.00 0.00 H new ATOM 191 N LEU A 13 6.236 3.548 -2.322 1.00 0.00 N ATOM 192 CA LEU A 13 5.244 2.529 -1.964 1.00 0.00 C ATOM 193 C LEU A 13 4.586 2.816 -0.620 1.00 0.00 C ATOM 194 O LEU A 13 3.434 2.433 -0.397 1.00 0.00 O ATOM 195 CB LEU A 13 5.828 1.114 -1.969 1.00 0.00 C ATOM 196 CG LEU A 13 6.044 0.533 -3.361 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.318 1.069 -3.992 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.064 -0.985 -3.311 1.00 0.00 C ATOM 0 H LEU A 13 7.199 3.215 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 13 4.479 2.579 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.781 1.124 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.161 0.456 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 13 5.208 0.845 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.443 0.635 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.254 2.154 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.172 0.803 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.219 -1.380 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.874 -1.317 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.113 -1.349 -2.921 1.00 0.00 H new ATOM 210 N LEU A 14 5.312 3.472 0.275 1.00 0.00 N ATOM 211 CA LEU A 14 4.730 3.955 1.514 1.00 0.00 C ATOM 212 C LEU A 14 3.599 4.923 1.185 1.00 0.00 C ATOM 213 O LEU A 14 2.524 4.866 1.777 1.00 0.00 O ATOM 214 CB LEU A 14 5.825 4.606 2.386 1.00 0.00 C ATOM 215 CG LEU A 14 5.395 5.193 3.740 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.742 6.557 3.573 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.468 4.239 4.486 1.00 0.00 C ATOM 0 H LEU A 14 6.304 3.680 0.164 1.00 0.00 H new ATOM 0 HA LEU A 14 4.310 3.130 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.596 3.858 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.288 5.403 1.805 1.00 0.00 H new ATOM 0 HG LEU A 14 6.297 5.325 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.450 6.943 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.449 7.244 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.859 6.463 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.181 4.682 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.575 4.057 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.984 3.296 4.665 1.00 0.00 H new ATOM 229 N SER A 15 3.842 5.782 0.209 1.00 0.00 N ATOM 230 CA SER A 15 2.831 6.710 -0.261 1.00 0.00 C ATOM 231 C SER A 15 1.703 5.965 -0.977 1.00 0.00 C ATOM 232 O SER A 15 0.532 6.324 -0.834 1.00 0.00 O ATOM 233 CB SER A 15 3.459 7.747 -1.195 1.00 0.00 C ATOM 234 OG SER A 15 4.553 8.399 -0.569 1.00 0.00 O ATOM 0 H SER A 15 4.737 5.855 -0.275 1.00 0.00 H new ATOM 0 HA SER A 15 2.408 7.224 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.796 7.260 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.709 8.483 -1.483 1.00 0.00 H new ATOM 0 HG SER A 15 5.324 7.795 -0.546 1.00 0.00 H new ATOM 240 N LYS A 16 2.051 4.917 -1.733 1.00 0.00 N ATOM 241 CA LYS A 16 1.051 4.132 -2.446 1.00 0.00 C ATOM 242 C LYS A 16 0.030 3.538 -1.486 1.00 0.00 C ATOM 243 O LYS A 16 -1.167 3.776 -1.627 1.00 0.00 O ATOM 244 CB LYS A 16 1.701 3.012 -3.260 1.00 0.00 C ATOM 245 CG LYS A 16 2.499 3.504 -4.457 1.00 0.00 C ATOM 246 CD LYS A 16 3.046 2.347 -5.281 1.00 0.00 C ATOM 247 CE LYS A 16 1.934 1.523 -5.920 1.00 0.00 C ATOM 248 NZ LYS A 16 1.107 2.330 -6.855 1.00 0.00 N ATOM 0 H LYS A 16 3.011 4.599 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 16 0.539 4.810 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.359 2.437 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.924 2.331 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.865 4.130 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.324 4.128 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.702 2.735 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.653 1.704 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.370 0.681 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.297 1.108 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.513 1.697 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.501 2.977 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.728 2.881 -7.481 1.00 0.00 H new ATOM 262 N ASN A 17 0.502 2.789 -0.493 1.00 0.00 N ATOM 263 CA ASN A 17 -0.403 2.121 0.439 1.00 0.00 C ATOM 264 C ASN A 17 -1.099 3.140 1.339 1.00 0.00 C ATOM 265 O ASN A 17 -2.202 2.902 1.819 1.00 0.00 O ATOM 266 CB ASN A 17 0.329 1.066 1.286 1.00 0.00 C ATOM 267 CG ASN A 17 1.157 1.650 2.420 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.429 1.895 2.167 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 0.657 1.859 3.523 1.00 0.00 N flip ATOM 0 H ASN A 17 1.493 2.630 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.158 1.603 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.405 0.377 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.981 0.482 0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.330 1.657 3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.229 2.234 4.280 1.00 0.00 H new ATOM 276 N TYR A 18 -0.456 4.282 1.546 1.00 0.00 N ATOM 277 CA TYR A 18 -1.035 5.349 2.349 1.00 0.00 C ATOM 278 C TYR A 18 -2.272 5.916 1.660 1.00 0.00 C ATOM 279 O TYR A 18 -3.344 6.009 2.262 1.00 0.00 O ATOM 280 CB TYR A 18 -0.002 6.457 2.580 1.00 0.00 C ATOM 281 CG TYR A 18 -0.505 7.597 3.436 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.010 8.754 2.857 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.473 7.516 4.821 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.469 9.797 3.635 1.00 0.00 C ATOM 285 CE2 TYR A 18 -0.933 8.556 5.605 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.428 9.693 5.007 1.00 0.00 C ATOM 287 OH TYR A 18 -1.881 10.734 5.783 1.00 0.00 O ATOM 0 H TYR A 18 0.468 4.492 1.168 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.331 4.939 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.881 6.024 3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.313 6.853 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.044 8.839 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.083 6.626 5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.858 10.691 3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.905 8.478 6.682 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.785 10.502 6.730 1.00 0.00 H new ATOM 297 N HIS A 19 -2.122 6.274 0.390 1.00 0.00 N ATOM 298 CA HIS A 19 -3.228 6.823 -0.388 1.00 0.00 C ATOM 299 C HIS A 19 -4.263 5.745 -0.680 1.00 0.00 C ATOM 300 O HIS A 19 -5.463 6.013 -0.720 1.00 0.00 O ATOM 301 CB HIS A 19 -2.723 7.432 -1.701 1.00 0.00 C ATOM 302 CG HIS A 19 -2.029 8.748 -1.533 1.00 0.00 C ATOM 303 ND1 HIS A 19 -2.538 9.931 -2.020 1.00 0.00 N ATOM 304 CD2 HIS A 19 -0.860 9.067 -0.929 1.00 0.00 C ATOM 305 CE1 HIS A 19 -1.714 10.917 -1.726 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.687 10.421 -1.061 1.00 0.00 N ATOM 0 H HIS A 19 -1.245 6.194 -0.124 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.695 7.611 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.038 6.729 -2.176 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.567 7.562 -2.378 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.188 8.382 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.855 11.956 -1.985 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.104 10.956 -0.704 1.00 0.00 H new ATOM 315 N LEU A 20 -3.788 4.522 -0.862 1.00 0.00 N ATOM 316 CA LEU A 20 -4.646 3.393 -1.154 1.00 0.00 C ATOM 317 C LEU A 20 -5.519 3.051 0.054 1.00 0.00 C ATOM 318 O LEU A 20 -6.683 2.679 -0.095 1.00 0.00 O ATOM 319 CB LEU A 20 -3.779 2.205 -1.556 1.00 0.00 C ATOM 320 CG LEU A 20 -4.525 0.934 -1.926 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.439 1.168 -3.120 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.534 -0.179 -2.219 1.00 0.00 C ATOM 0 H LEU A 20 -2.796 4.289 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.314 3.645 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.162 2.501 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.102 1.979 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.149 0.638 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.962 0.243 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.166 1.942 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.845 1.487 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.075 -1.088 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.891 0.115 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.924 -0.365 -1.335 1.00 0.00 H new ATOM 334 N GLU A 21 -4.961 3.198 1.251 1.00 0.00 N ATOM 335 CA GLU A 21 -5.722 2.970 2.475 1.00 0.00 C ATOM 336 C GLU A 21 -6.813 4.027 2.622 1.00 0.00 C ATOM 337 O GLU A 21 -7.883 3.763 3.180 1.00 0.00 O ATOM 338 CB GLU A 21 -4.797 2.983 3.695 1.00 0.00 C ATOM 339 CG GLU A 21 -5.494 2.604 4.991 1.00 0.00 C ATOM 340 CD GLU A 21 -4.561 2.609 6.186 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.016 1.536 6.519 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.384 3.684 6.795 1.00 0.00 O ATOM 0 H GLU A 21 -3.990 3.472 1.400 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.192 1.989 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.971 2.293 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.365 3.978 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.314 3.299 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.934 1.613 4.884 1.00 0.00 H new ATOM 349 N ASN A 22 -6.540 5.220 2.103 1.00 0.00 N ATOM 350 CA ASN A 22 -7.523 6.297 2.103 1.00 0.00 C ATOM 351 C ASN A 22 -8.691 5.941 1.191 1.00 0.00 C ATOM 352 O ASN A 22 -9.821 6.384 1.403 1.00 0.00 O ATOM 353 CB ASN A 22 -6.900 7.618 1.641 1.00 0.00 C ATOM 354 CG ASN A 22 -5.831 8.135 2.586 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.860 7.866 3.787 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.884 8.890 2.049 1.00 0.00 N ATOM 0 H ASN A 22 -5.646 5.465 1.677 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.880 6.422 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.466 7.481 0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.685 8.368 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.142 9.272 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.896 9.089 1.049 1.00 0.00 H new ATOM 363 N GLU A 23 -8.410 5.120 0.184 1.00 0.00 N ATOM 364 CA GLU A 23 -9.425 4.698 -0.769 1.00 0.00 C ATOM 365 C GLU A 23 -10.386 3.721 -0.108 1.00 0.00 C ATOM 366 O GLU A 23 -11.595 3.800 -0.308 1.00 0.00 O ATOM 367 CB GLU A 23 -8.788 4.047 -2.001 1.00 0.00 C ATOM 368 CG GLU A 23 -7.731 4.908 -2.679 1.00 0.00 C ATOM 369 CD GLU A 23 -8.240 6.283 -3.064 1.00 0.00 C ATOM 370 OE1 GLU A 23 -7.899 7.258 -2.361 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.979 6.386 -4.065 1.00 0.00 O ATOM 0 H GLU A 23 -7.483 4.733 0.008 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.973 5.582 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.336 3.100 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.571 3.815 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.877 5.018 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.373 4.397 -3.572 1.00 0.00 H new ATOM 378 N VAL A 24 -9.843 2.816 0.701 1.00 0.00 N ATOM 379 CA VAL A 24 -10.668 1.858 1.432 1.00 0.00 C ATOM 380 C VAL A 24 -11.638 2.607 2.339 1.00 0.00 C ATOM 381 O VAL A 24 -12.793 2.216 2.496 1.00 0.00 O ATOM 382 CB VAL A 24 -9.819 0.888 2.291 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.697 -0.186 2.923 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.715 0.244 1.467 1.00 0.00 C ATOM 0 H VAL A 24 -8.841 2.725 0.867 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.210 1.266 0.695 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.355 1.473 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.079 -0.855 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.445 0.285 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.196 -0.756 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.137 -0.431 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.156 -0.317 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.060 1.018 1.068 1.00 0.00 H new ATOM 394 N ALA A 25 -11.165 3.713 2.902 1.00 0.00 N ATOM 395 CA ALA A 25 -11.973 4.516 3.812 1.00 0.00 C ATOM 396 C ALA A 25 -13.086 5.249 3.072 1.00 0.00 C ATOM 397 O ALA A 25 -14.117 5.577 3.657 1.00 0.00 O ATOM 398 CB ALA A 25 -11.105 5.512 4.561 1.00 0.00 C ATOM 0 H ALA A 25 -10.224 4.074 2.744 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.433 3.835 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.727 6.102 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.351 4.976 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.613 6.174 3.848 1.00 0.00 H new ATOM 404 N ARG A 26 -12.882 5.505 1.787 1.00 0.00 N ATOM 405 CA ARG A 26 -13.878 6.216 0.999 1.00 0.00 C ATOM 406 C ARG A 26 -15.033 5.280 0.652 1.00 0.00 C ATOM 407 O ARG A 26 -16.201 5.673 0.695 1.00 0.00 O ATOM 408 CB ARG A 26 -13.241 6.828 -0.258 1.00 0.00 C ATOM 409 CG ARG A 26 -13.355 5.995 -1.526 1.00 0.00 C ATOM 410 CD ARG A 26 -12.728 6.708 -2.713 1.00 0.00 C ATOM 411 NE ARG A 26 -12.919 5.970 -3.961 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.489 6.390 -5.152 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.833 7.540 -5.264 1.00 0.00 N ATOM 414 NH2 ARG A 26 -12.717 5.657 -6.234 1.00 0.00 N ATOM 0 H ARG A 26 -12.044 5.234 1.272 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.279 7.040 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.701 7.799 -0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.185 7.008 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.865 5.033 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.405 5.789 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.164 7.702 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.662 6.844 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.412 5.078 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.655 8.108 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.507 7.854 -6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.221 4.774 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.389 5.977 -7.145 1.00 0.00 H new ATOM 428 N LEU A 27 -14.700 4.032 0.334 1.00 0.00 N ATOM 429 CA LEU A 27 -15.723 3.017 0.080 1.00 0.00 C ATOM 430 C LEU A 27 -16.503 2.696 1.352 1.00 0.00 C ATOM 431 O LEU A 27 -17.654 2.275 1.282 1.00 0.00 O ATOM 432 CB LEU A 27 -15.131 1.724 -0.497 1.00 0.00 C ATOM 433 CG LEU A 27 -14.835 1.734 -2.002 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.720 2.701 -2.343 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.487 0.340 -2.484 1.00 0.00 C ATOM 0 H LEU A 27 -13.740 3.699 0.246 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.399 3.440 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.205 1.503 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.821 0.907 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.737 2.070 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.537 2.682 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.007 3.708 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.812 2.410 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.280 0.366 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.606 -0.019 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.325 -0.331 -2.293 1.00 0.00 H new ATOM 447 N LYS A 28 -15.879 2.895 2.511 1.00 0.00 N ATOM 448 CA LYS A 28 -16.552 2.673 3.791 1.00 0.00 C ATOM 449 C LYS A 28 -17.840 3.488 3.883 1.00 0.00 C ATOM 450 O LYS A 28 -18.854 3.003 4.382 1.00 0.00 O ATOM 451 CB LYS A 28 -15.632 3.027 4.963 1.00 0.00 C ATOM 452 CG LYS A 28 -14.451 2.085 5.132 1.00 0.00 C ATOM 453 CD LYS A 28 -14.902 0.671 5.465 1.00 0.00 C ATOM 454 CE LYS A 28 -13.717 -0.264 5.652 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.895 0.105 6.835 1.00 0.00 N ATOM 0 H LYS A 28 -14.912 3.208 2.591 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.803 1.614 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.257 4.041 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.217 3.028 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.861 2.072 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.800 2.456 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.503 0.685 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.541 0.294 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.077 -1.287 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.094 -0.243 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.215 -0.656 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.380 0.987 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.514 0.242 7.659 1.00 0.00 H new ATOM 469 N LYS A 29 -17.803 4.717 3.381 1.00 0.00 N ATOM 470 CA LYS A 29 -18.975 5.574 3.387 1.00 0.00 C ATOM 471 C LYS A 29 -19.947 5.149 2.296 1.00 0.00 C ATOM 472 O LYS A 29 -21.159 5.286 2.445 1.00 0.00 O ATOM 473 CB LYS A 29 -18.587 7.041 3.192 1.00 0.00 C ATOM 474 CG LYS A 29 -17.991 7.713 4.425 1.00 0.00 C ATOM 475 CD LYS A 29 -16.666 7.091 4.835 1.00 0.00 C ATOM 476 CE LYS A 29 -16.106 7.739 6.090 1.00 0.00 C ATOM 477 NZ LYS A 29 -16.990 7.534 7.266 1.00 0.00 N ATOM 0 H LYS A 29 -16.973 5.139 2.965 1.00 0.00 H new ATOM 0 HA LYS A 29 -19.458 5.472 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.868 7.107 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.471 7.598 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.845 8.774 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.696 7.640 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.803 6.023 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.948 7.194 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.120 7.326 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.974 8.807 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.473 7.777 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.829 8.143 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.288 6.538 7.307 1.00 0.00 H new ATOM 491 N LEU A 30 -19.408 4.615 1.208 1.00 0.00 N ATOM 492 CA LEU A 30 -20.232 4.127 0.110 1.00 0.00 C ATOM 493 C LEU A 30 -20.984 2.867 0.533 1.00 0.00 C ATOM 494 O LEU A 30 -21.988 2.494 -0.071 1.00 0.00 O ATOM 495 CB LEU A 30 -19.370 3.839 -1.124 1.00 0.00 C ATOM 496 CG LEU A 30 -18.519 5.011 -1.621 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.718 4.604 -2.848 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.390 6.218 -1.934 1.00 0.00 C ATOM 0 H LEU A 30 -18.404 4.509 1.062 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.956 4.900 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.709 3.003 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.023 3.517 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.825 5.287 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.119 5.449 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.061 3.772 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.399 4.299 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.763 7.038 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.111 5.955 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.921 6.527 -1.033 1.00 0.00 H new ATOM 510 N VAL A 31 -20.485 2.210 1.572 1.00 0.00 N ATOM 511 CA VAL A 31 -21.149 1.044 2.137 1.00 0.00 C ATOM 512 C VAL A 31 -22.052 1.457 3.302 1.00 0.00 C ATOM 513 O VAL A 31 -23.089 0.842 3.548 1.00 0.00 O ATOM 514 CB VAL A 31 -20.126 -0.017 2.618 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.828 -1.236 3.199 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.208 -0.431 1.479 1.00 0.00 C ATOM 0 H VAL A 31 -19.617 2.467 2.042 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.756 0.598 1.349 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.524 0.435 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.084 -1.962 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.439 -0.933 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.464 -1.687 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.497 -1.176 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.802 -0.855 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.666 0.441 1.113 1.00 0.00 H new ATOM 526 N GLY A 32 -21.676 2.531 3.986 1.00 0.00 N ATOM 527 CA GLY A 32 -22.388 2.933 5.183 1.00 0.00 C ATOM 528 C GLY A 32 -23.545 3.878 4.913 1.00 0.00 C ATOM 529 O GLY A 32 -24.570 3.803 5.590 1.00 0.00 O ATOM 0 H GLY A 32 -20.891 3.130 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.766 2.043 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.689 3.414 5.867 1.00 0.00 H new ATOM 533 N GLU A 33 -23.379 4.753 3.919 1.00 0.00 N ATOM 534 CA GLU A 33 -24.364 5.789 3.598 1.00 0.00 C ATOM 535 C GLU A 33 -24.401 6.830 4.710 1.00 0.00 C ATOM 536 O GLU A 33 -23.508 7.700 4.730 1.00 0.00 O ATOM 537 CB GLU A 33 -25.776 5.220 3.366 1.00 0.00 C ATOM 538 CG GLU A 33 -25.940 4.408 2.088 1.00 0.00 C ATOM 539 CD GLU A 33 -25.296 3.040 2.165 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.205 2.872 1.589 1.00 0.00 O ATOM 541 OE2 GLU A 33 -25.878 2.141 2.806 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.309 6.771 5.567 1.00 0.00 O ATOM 0 H GLU A 33 -22.558 4.764 3.314 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.049 6.250 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -26.042 4.591 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.486 6.047 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.002 4.291 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.505 4.961 1.255 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.055 -6.287 6.755 1.00 0.00 N ATOM 551 CA GLY B 1 24.229 -6.020 5.554 1.00 0.00 C ATOM 552 C GLY B 1 23.302 -4.843 5.761 1.00 0.00 C ATOM 553 O GLY B 1 22.988 -4.489 6.897 1.00 0.00 O ATOM 0 H1 GLY B 1 26.039 -6.006 6.569 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.685 -5.741 7.559 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.021 -7.302 6.981 1.00 0.00 H new ATOM 0 HA2 GLY B 1 24.879 -5.825 4.701 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.643 -6.906 5.312 1.00 0.00 H new ATOM 559 N SER B 2 22.868 -4.235 4.668 1.00 0.00 N ATOM 560 CA SER B 2 21.967 -3.095 4.737 1.00 0.00 C ATOM 561 C SER B 2 20.989 -3.103 3.560 1.00 0.00 C ATOM 562 O SER B 2 19.775 -3.086 3.762 1.00 0.00 O ATOM 563 CB SER B 2 22.764 -1.786 4.766 1.00 0.00 C ATOM 564 OG SER B 2 21.938 -0.689 5.119 1.00 0.00 O ATOM 0 H SER B 2 23.126 -4.512 3.721 1.00 0.00 H new ATOM 0 HA SER B 2 21.389 -3.170 5.658 1.00 0.00 H new ATOM 0 HB2 SER B 2 23.583 -1.872 5.480 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.211 -1.608 3.788 1.00 0.00 H new ATOM 0 HG SER B 2 22.473 0.132 5.131 1.00 0.00 H new ATOM 570 N MET B 3 21.511 -3.148 2.332 1.00 0.00 N ATOM 571 CA MET B 3 20.663 -3.132 1.139 1.00 0.00 C ATOM 572 C MET B 3 19.714 -4.325 1.105 1.00 0.00 C ATOM 573 O MET B 3 18.624 -4.241 0.536 1.00 0.00 O ATOM 574 CB MET B 3 21.507 -3.108 -0.135 1.00 0.00 C ATOM 575 CG MET B 3 22.359 -1.860 -0.273 1.00 0.00 C ATOM 576 SD MET B 3 23.079 -1.678 -1.917 1.00 0.00 S ATOM 577 CE MET B 3 21.610 -1.476 -2.923 1.00 0.00 C ATOM 0 H MET B 3 22.511 -3.196 2.139 1.00 0.00 H new ATOM 0 HA MET B 3 20.066 -2.221 1.187 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.155 -3.984 -0.148 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.848 -3.186 -1.000 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.750 -0.984 -0.050 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.159 -1.889 0.467 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.516 -2.322 -3.603 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.732 -1.428 -2.279 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.688 -0.554 -3.499 1.00 0.00 H new ATOM 587 N LYS B 4 20.120 -5.431 1.719 1.00 0.00 N ATOM 588 CA LYS B 4 19.269 -6.615 1.797 1.00 0.00 C ATOM 589 C LYS B 4 17.997 -6.304 2.579 1.00 0.00 C ATOM 590 O LYS B 4 16.917 -6.805 2.261 1.00 0.00 O ATOM 591 CB LYS B 4 20.013 -7.784 2.451 1.00 0.00 C ATOM 592 CG LYS B 4 21.095 -8.396 1.574 1.00 0.00 C ATOM 593 CD LYS B 4 21.818 -9.525 2.288 1.00 0.00 C ATOM 594 CE LYS B 4 22.969 -10.060 1.452 1.00 0.00 C ATOM 595 NZ LYS B 4 23.656 -11.199 2.114 1.00 0.00 N ATOM 0 H LYS B 4 21.030 -5.533 2.169 1.00 0.00 H new ATOM 0 HA LYS B 4 19.000 -6.904 0.781 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.465 -7.439 3.381 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.292 -8.558 2.715 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.649 -8.773 0.654 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.812 -7.626 1.289 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.197 -9.169 3.246 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.116 -10.331 2.502 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.593 -10.379 0.480 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.687 -9.260 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 24.434 -11.533 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 24.038 -10.889 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.978 -11.973 2.265 1.00 0.00 H new ATOM 609 N GLN B 5 18.128 -5.445 3.582 1.00 0.00 N ATOM 610 CA GLN B 5 16.997 -5.055 4.408 1.00 0.00 C ATOM 611 C GLN B 5 16.029 -4.199 3.603 1.00 0.00 C ATOM 612 O GLN B 5 14.814 -4.325 3.747 1.00 0.00 O ATOM 613 CB GLN B 5 17.473 -4.288 5.639 1.00 0.00 C ATOM 614 CG GLN B 5 18.491 -5.048 6.471 1.00 0.00 C ATOM 615 CD GLN B 5 18.953 -4.258 7.675 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.915 -3.495 7.602 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.271 -4.435 8.793 1.00 0.00 N ATOM 0 H GLN B 5 19.011 -5.005 3.842 1.00 0.00 H new ATOM 0 HA GLN B 5 16.482 -5.958 4.737 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.910 -3.341 5.321 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.612 -4.048 6.263 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.055 -5.990 6.803 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.352 -5.296 5.850 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.479 -5.078 8.811 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.537 -3.929 9.638 1.00 0.00 H new ATOM 626 N LEU B 6 16.578 -3.341 2.748 1.00 0.00 N ATOM 627 CA LEU B 6 15.767 -2.503 1.868 1.00 0.00 C ATOM 628 C LEU B 6 14.999 -3.364 0.872 1.00 0.00 C ATOM 629 O LEU B 6 13.817 -3.133 0.623 1.00 0.00 O ATOM 630 CB LEU B 6 16.633 -1.483 1.109 1.00 0.00 C ATOM 631 CG LEU B 6 17.032 -0.218 1.883 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.799 0.543 2.348 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.931 -0.557 3.062 1.00 0.00 C ATOM 0 H LEU B 6 17.584 -3.207 2.645 1.00 0.00 H new ATOM 0 HA LEU B 6 15.061 -1.957 2.494 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.543 -1.985 0.781 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.095 -1.179 0.211 1.00 0.00 H new ATOM 0 HG LEU B 6 17.595 0.424 1.205 1.00 0.00 H new ATOM 0 HD11 LEU B 6 16.106 1.435 2.894 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.203 0.834 1.483 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.203 -0.094 3.001 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.197 0.358 3.591 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.404 -1.228 3.740 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.837 -1.044 2.701 1.00 0.00 H new ATOM 645 N GLU B 7 15.676 -4.369 0.323 1.00 0.00 N ATOM 646 CA GLU B 7 15.060 -5.274 -0.643 1.00 0.00 C ATOM 647 C GLU B 7 13.902 -6.043 -0.012 1.00 0.00 C ATOM 648 O GLU B 7 12.878 -6.285 -0.654 1.00 0.00 O ATOM 649 CB GLU B 7 16.099 -6.253 -1.195 1.00 0.00 C ATOM 650 CG GLU B 7 17.234 -5.577 -1.947 1.00 0.00 C ATOM 651 CD GLU B 7 18.257 -6.564 -2.475 1.00 0.00 C ATOM 652 OE1 GLU B 7 19.145 -6.972 -1.697 1.00 0.00 O ATOM 653 OE2 GLU B 7 18.169 -6.930 -3.666 1.00 0.00 O ATOM 0 H GLU B 7 16.653 -4.577 0.531 1.00 0.00 H new ATOM 0 HA GLU B 7 14.667 -4.673 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.515 -6.832 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.603 -6.959 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU B 7 16.823 -5.006 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.729 -4.866 -1.286 1.00 0.00 H new ATOM 660 N ASP B 8 14.062 -6.421 1.250 1.00 0.00 N ATOM 661 CA ASP B 8 13.004 -7.121 1.972 1.00 0.00 C ATOM 662 C ASP B 8 11.929 -6.146 2.436 1.00 0.00 C ATOM 663 O ASP B 8 10.784 -6.533 2.674 1.00 0.00 O ATOM 664 CB ASP B 8 13.564 -7.880 3.178 1.00 0.00 C ATOM 665 CG ASP B 8 14.313 -9.137 2.784 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.555 -9.153 2.906 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.656 -10.104 2.349 1.00 0.00 O ATOM 0 H ASP B 8 14.909 -6.256 1.794 1.00 0.00 H new ATOM 0 HA ASP B 8 12.560 -7.840 1.283 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.232 -7.224 3.736 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.745 -8.145 3.847 1.00 0.00 H new ATOM 672 N LYS B 9 12.300 -4.880 2.558 1.00 0.00 N ATOM 673 CA LYS B 9 11.383 -3.854 3.030 1.00 0.00 C ATOM 674 C LYS B 9 10.432 -3.435 1.915 1.00 0.00 C ATOM 675 O LYS B 9 9.220 -3.374 2.115 1.00 0.00 O ATOM 676 CB LYS B 9 12.162 -2.640 3.545 1.00 0.00 C ATOM 677 CG LYS B 9 11.305 -1.616 4.272 1.00 0.00 C ATOM 678 CD LYS B 9 10.739 -2.174 5.569 1.00 0.00 C ATOM 679 CE LYS B 9 9.950 -1.120 6.332 1.00 0.00 C ATOM 680 NZ LYS B 9 9.439 -1.640 7.627 1.00 0.00 N ATOM 0 H LYS B 9 13.235 -4.538 2.335 1.00 0.00 H new ATOM 0 HA LYS B 9 10.796 -4.267 3.850 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.947 -2.984 4.218 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.654 -2.154 2.703 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.902 -0.729 4.487 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.487 -1.300 3.624 1.00 0.00 H new ATOM 0 HD2 LYS B 9 10.094 -3.025 5.349 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.553 -2.544 6.193 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.585 -0.253 6.514 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.113 -0.780 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.907 -0.892 8.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.813 -2.452 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.239 -1.941 8.220 1.00 0.00 H new ATOM 694 N VAL B 10 10.984 -3.164 0.737 1.00 0.00 N ATOM 695 CA VAL B 10 10.176 -2.750 -0.403 1.00 0.00 C ATOM 696 C VAL B 10 9.192 -3.850 -0.798 1.00 0.00 C ATOM 697 O VAL B 10 8.035 -3.571 -1.110 1.00 0.00 O ATOM 698 CB VAL B 10 11.047 -2.347 -1.620 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.955 -3.485 -2.065 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.172 -1.878 -2.771 1.00 0.00 C ATOM 0 H VAL B 10 11.984 -3.223 0.548 1.00 0.00 H new ATOM 0 HA VAL B 10 9.616 -1.868 -0.093 1.00 0.00 H new ATOM 0 HB VAL B 10 11.686 -1.521 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.549 -3.163 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.618 -3.763 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.348 -4.345 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.801 -1.599 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.500 -2.683 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.586 -1.015 -2.455 1.00 0.00 H new ATOM 710 N GLU B 11 9.642 -5.101 -0.748 1.00 0.00 N ATOM 711 CA GLU B 11 8.781 -6.233 -1.064 1.00 0.00 C ATOM 712 C GLU B 11 7.656 -6.342 -0.039 1.00 0.00 C ATOM 713 O GLU B 11 6.533 -6.728 -0.369 1.00 0.00 O ATOM 714 CB GLU B 11 9.599 -7.526 -1.103 1.00 0.00 C ATOM 715 CG GLU B 11 8.806 -8.745 -1.548 1.00 0.00 C ATOM 716 CD GLU B 11 9.673 -9.980 -1.698 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.164 -10.225 -2.819 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.865 -10.696 -0.696 1.00 0.00 O ATOM 0 H GLU B 11 10.596 -5.354 -0.492 1.00 0.00 H new ATOM 0 HA GLU B 11 8.339 -6.074 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.444 -7.389 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.010 -7.714 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.017 -8.945 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.319 -8.530 -2.499 1.00 0.00 H new ATOM 725 N GLU B 12 7.963 -5.994 1.205 1.00 0.00 N ATOM 726 CA GLU B 12 6.961 -5.978 2.263 1.00 0.00 C ATOM 727 C GLU B 12 5.857 -4.964 1.954 1.00 0.00 C ATOM 728 O GLU B 12 4.680 -5.314 1.951 1.00 0.00 O ATOM 729 CB GLU B 12 7.605 -5.665 3.615 1.00 0.00 C ATOM 730 CG GLU B 12 6.639 -5.751 4.788 1.00 0.00 C ATOM 731 CD GLU B 12 6.059 -7.143 4.975 1.00 0.00 C ATOM 732 OE1 GLU B 12 4.931 -7.385 4.493 1.00 0.00 O ATOM 733 OE2 GLU B 12 6.730 -7.986 5.605 1.00 0.00 O ATOM 0 H GLU B 12 8.898 -5.719 1.506 1.00 0.00 H new ATOM 0 HA GLU B 12 6.512 -6.970 2.314 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.430 -6.358 3.784 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.032 -4.663 3.581 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.156 -5.452 5.700 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.826 -5.041 4.635 1.00 0.00 H new ATOM 740 N LEU B 13 6.228 -3.710 1.703 1.00 0.00 N ATOM 741 CA LEU B 13 5.236 -2.689 1.352 1.00 0.00 C ATOM 742 C LEU B 13 4.573 -2.972 0.011 1.00 0.00 C ATOM 743 O LEU B 13 3.419 -2.587 -0.205 1.00 0.00 O ATOM 744 CB LEU B 13 5.822 -1.274 1.361 1.00 0.00 C ATOM 745 CG LEU B 13 6.045 -0.700 2.756 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.323 -1.239 3.379 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.066 0.818 2.713 1.00 0.00 C ATOM 0 H LEU B 13 7.192 -3.377 1.734 1.00 0.00 H new ATOM 0 HA LEU B 13 4.473 -2.740 2.129 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.772 -1.283 0.827 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.153 -0.612 0.810 1.00 0.00 H new ATOM 0 HG LEU B 13 5.212 -1.016 3.384 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.452 -0.810 4.373 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.260 -2.324 3.458 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.174 -0.969 2.754 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.226 1.208 3.718 1.00 0.00 H new ATOM 0 HD22 LEU B 13 6.873 1.152 2.061 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.114 1.184 2.329 1.00 0.00 H new ATOM 759 N LEU B 14 5.295 -3.626 -0.890 1.00 0.00 N ATOM 760 CA LEU B 14 4.708 -4.103 -2.130 1.00 0.00 C ATOM 761 C LEU B 14 3.576 -5.071 -1.801 1.00 0.00 C ATOM 762 O LEU B 14 2.499 -5.013 -2.390 1.00 0.00 O ATOM 763 CB LEU B 14 5.800 -4.753 -3.009 1.00 0.00 C ATOM 764 CG LEU B 14 5.366 -5.338 -4.362 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.708 -6.699 -4.193 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.440 -4.381 -5.103 1.00 0.00 C ATOM 0 H LEU B 14 6.287 -3.837 -0.783 1.00 0.00 H new ATOM 0 HA LEU B 14 4.288 -3.275 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.570 -4.005 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.266 -5.551 -2.431 1.00 0.00 H new ATOM 0 HG LEU B 14 6.266 -5.473 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.413 -7.084 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.413 -7.389 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.826 -6.601 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.149 -4.821 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.550 -4.197 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.958 -3.439 -5.281 1.00 0.00 H new ATOM 778 N SER B 15 3.821 -5.934 -0.829 1.00 0.00 N ATOM 779 CA SER B 15 2.811 -6.861 -0.359 1.00 0.00 C ATOM 780 C SER B 15 1.689 -6.117 0.368 1.00 0.00 C ATOM 781 O SER B 15 0.517 -6.475 0.231 1.00 0.00 O ATOM 782 CB SER B 15 3.443 -7.904 0.561 1.00 0.00 C ATOM 783 OG SER B 15 4.525 -8.558 -0.086 1.00 0.00 O ATOM 0 H SER B 15 4.718 -6.010 -0.349 1.00 0.00 H new ATOM 0 HA SER B 15 2.379 -7.369 -1.221 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.796 -7.424 1.474 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.693 -8.638 0.856 1.00 0.00 H new ATOM 0 HG SER B 15 5.308 -7.968 -0.091 1.00 0.00 H new ATOM 789 N LYS B 16 2.043 -5.072 1.126 1.00 0.00 N ATOM 790 CA LYS B 16 1.048 -4.288 1.846 1.00 0.00 C ATOM 791 C LYS B 16 0.021 -3.688 0.897 1.00 0.00 C ATOM 792 O LYS B 16 -1.176 -3.912 1.059 1.00 0.00 O ATOM 793 CB LYS B 16 1.704 -3.173 2.660 1.00 0.00 C ATOM 794 CG LYS B 16 2.505 -3.669 3.852 1.00 0.00 C ATOM 795 CD LYS B 16 3.054 -2.513 4.676 1.00 0.00 C ATOM 796 CE LYS B 16 1.944 -1.694 5.325 1.00 0.00 C ATOM 797 NZ LYS B 16 1.130 -2.505 6.271 1.00 0.00 N ATOM 0 H LYS B 16 3.005 -4.756 1.252 1.00 0.00 H new ATOM 0 HA LYS B 16 0.539 -4.970 2.527 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.361 -2.599 2.007 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.930 -2.491 3.013 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.873 -4.297 4.480 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.329 -4.292 3.504 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.717 -2.902 5.449 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.655 -1.866 4.037 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.381 -0.849 5.856 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.297 -1.283 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.526 -1.876 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.534 -3.168 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.761 -3.039 6.902 1.00 0.00 H new ATOM 811 N ASN B 17 0.488 -2.941 -0.101 1.00 0.00 N ATOM 812 CA ASN B 17 -0.422 -2.270 -1.027 1.00 0.00 C ATOM 813 C ASN B 17 -1.122 -3.288 -1.923 1.00 0.00 C ATOM 814 O ASN B 17 -2.230 -3.052 -2.392 1.00 0.00 O ATOM 815 CB ASN B 17 0.309 -1.214 -1.876 1.00 0.00 C ATOM 816 CG ASN B 17 1.129 -1.801 -3.013 1.00 0.00 C ATOM 817 OD1 ASN B 17 2.404 -2.044 -2.767 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 0.622 -2.014 -4.113 1.00 0.00 N flip ATOM 0 H ASN B 17 1.479 -2.786 -0.288 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.174 -1.752 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.425 -0.522 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.966 -0.633 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.366 -1.814 -4.266 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.190 -2.391 -4.872 1.00 0.00 H new ATOM 825 N TYR B 18 -0.480 -4.428 -2.139 1.00 0.00 N ATOM 826 CA TYR B 18 -1.063 -5.492 -2.942 1.00 0.00 C ATOM 827 C TYR B 18 -2.298 -6.061 -2.250 1.00 0.00 C ATOM 828 O TYR B 18 -3.371 -6.158 -2.849 1.00 0.00 O ATOM 829 CB TYR B 18 -0.032 -6.599 -3.182 1.00 0.00 C ATOM 830 CG TYR B 18 -0.539 -7.735 -4.040 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.045 -8.892 -3.463 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.513 -7.651 -5.426 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.511 -9.931 -4.240 1.00 0.00 C ATOM 834 CE2 TYR B 18 -0.978 -8.689 -6.212 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.476 -9.826 -5.613 1.00 0.00 C ATOM 836 OH TYR B 18 -1.941 -10.865 -6.391 1.00 0.00 O ATOM 0 H TYR B 18 0.446 -4.639 -1.768 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.363 -5.079 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.849 -6.165 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.288 -6.999 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.074 -8.980 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.123 -6.761 -5.897 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.902 -10.824 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.951 -8.609 -7.289 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.847 -10.632 -7.338 1.00 0.00 H new ATOM 846 N HIS B 19 -2.142 -6.424 -0.981 1.00 0.00 N ATOM 847 CA HIS B 19 -3.247 -6.970 -0.198 1.00 0.00 C ATOM 848 C HIS B 19 -4.278 -5.889 0.101 1.00 0.00 C ATOM 849 O HIS B 19 -5.478 -6.153 0.145 1.00 0.00 O ATOM 850 CB HIS B 19 -2.738 -7.582 1.112 1.00 0.00 C ATOM 851 CG HIS B 19 -2.049 -8.902 0.939 1.00 0.00 C ATOM 852 ND1 HIS B 19 -2.562 -10.085 1.422 1.00 0.00 N ATOM 853 CD2 HIS B 19 -0.881 -9.223 0.336 1.00 0.00 C ATOM 854 CE1 HIS B 19 -1.742 -11.074 1.123 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.713 -10.577 0.463 1.00 0.00 N ATOM 0 H HIS B 19 -1.261 -6.350 -0.472 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.720 -7.755 -0.788 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.048 -6.883 1.584 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.579 -7.709 1.793 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -0.206 -8.538 -0.155 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -1.888 -12.114 1.375 1.00 0.00 H new ATOM 0 HE2 HIS B 19 0.078 -11.113 0.106 1.00 0.00 H new ATOM 864 N LEU B 20 -3.799 -4.668 0.284 1.00 0.00 N ATOM 865 CA LEU B 20 -4.654 -3.540 0.584 1.00 0.00 C ATOM 866 C LEU B 20 -5.532 -3.193 -0.618 1.00 0.00 C ATOM 867 O LEU B 20 -6.695 -2.820 -0.465 1.00 0.00 O ATOM 868 CB LEU B 20 -3.784 -2.354 0.987 1.00 0.00 C ATOM 869 CG LEU B 20 -4.529 -1.084 1.363 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.441 -1.322 2.558 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.535 0.024 1.655 1.00 0.00 C ATOM 0 H LEU B 20 -2.807 -4.436 0.228 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.318 -3.795 1.410 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.164 -2.653 1.832 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.109 -2.126 0.162 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.157 -0.783 0.524 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.963 -0.398 2.807 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.169 -2.095 2.312 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.845 -1.644 3.412 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.072 0.933 1.924 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.890 -0.274 2.481 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.927 0.210 0.769 1.00 0.00 H new ATOM 883 N GLU B 21 -4.979 -3.336 -1.818 1.00 0.00 N ATOM 884 CA GLU B 21 -5.744 -3.103 -3.039 1.00 0.00 C ATOM 885 C GLU B 21 -6.837 -4.158 -3.184 1.00 0.00 C ATOM 886 O GLU B 21 -7.910 -3.891 -3.733 1.00 0.00 O ATOM 887 CB GLU B 21 -4.825 -3.113 -4.263 1.00 0.00 C ATOM 888 CG GLU B 21 -5.526 -2.724 -5.555 1.00 0.00 C ATOM 889 CD GLU B 21 -4.597 -2.722 -6.753 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.054 -1.646 -7.078 1.00 0.00 O ATOM 891 OE2 GLU B 21 -4.417 -3.793 -7.368 1.00 0.00 O ATOM 0 H GLU B 21 -4.009 -3.611 -1.972 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.212 -2.121 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.995 -2.428 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.397 -4.109 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.347 -3.417 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.965 -1.733 -5.440 1.00 0.00 H new ATOM 898 N ASN B 22 -6.566 -5.353 -2.670 1.00 0.00 N ATOM 899 CA ASN B 22 -7.552 -6.428 -2.672 1.00 0.00 C ATOM 900 C ASN B 22 -8.716 -6.073 -1.755 1.00 0.00 C ATOM 901 O ASN B 22 -9.848 -6.513 -1.961 1.00 0.00 O ATOM 902 CB ASN B 22 -6.928 -7.752 -2.219 1.00 0.00 C ATOM 903 CG ASN B 22 -5.865 -8.262 -3.172 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.893 -7.980 -4.368 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.921 -9.026 -2.646 1.00 0.00 N ATOM 0 H ASN B 22 -5.672 -5.602 -2.247 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.915 -6.548 -3.693 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.489 -7.621 -1.230 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.712 -8.503 -2.123 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.182 -9.404 -3.238 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.933 -9.237 -1.648 1.00 0.00 H new ATOM 912 N GLU B 23 -8.429 -5.256 -0.746 1.00 0.00 N ATOM 913 CA GLU B 23 -9.439 -4.834 0.213 1.00 0.00 C ATOM 914 C GLU B 23 -10.403 -3.857 -0.442 1.00 0.00 C ATOM 915 O GLU B 23 -11.611 -3.935 -0.234 1.00 0.00 O ATOM 916 CB GLU B 23 -8.794 -4.186 1.442 1.00 0.00 C ATOM 917 CG GLU B 23 -7.739 -5.053 2.112 1.00 0.00 C ATOM 918 CD GLU B 23 -8.254 -6.430 2.486 1.00 0.00 C ATOM 919 OE1 GLU B 23 -7.922 -7.399 1.771 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.989 -6.537 3.489 1.00 0.00 O ATOM 0 H GLU B 23 -7.500 -4.873 -0.573 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.987 -5.717 0.540 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.339 -3.241 1.146 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.573 -3.952 2.168 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.886 -5.160 1.442 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.379 -4.550 3.009 1.00 0.00 H new ATOM 927 N VAL B 24 -9.862 -2.950 -1.250 1.00 0.00 N ATOM 928 CA VAL B 24 -10.687 -1.988 -1.976 1.00 0.00 C ATOM 929 C VAL B 24 -11.663 -2.732 -2.882 1.00 0.00 C ATOM 930 O VAL B 24 -12.819 -2.340 -3.032 1.00 0.00 O ATOM 931 CB VAL B 24 -9.839 -1.016 -2.836 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.716 0.061 -3.463 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.732 -0.376 -2.013 1.00 0.00 C ATOM 0 H VAL B 24 -8.860 -2.860 -1.419 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.224 -1.397 -1.234 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.379 -1.599 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.098 0.731 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.467 -0.406 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.211 0.630 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.155 0.300 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.170 0.184 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.077 -1.152 -1.618 1.00 0.00 H new ATOM 943 N ALA B 25 -11.192 -3.838 -3.449 1.00 0.00 N ATOM 944 CA ALA B 25 -12.004 -4.639 -4.357 1.00 0.00 C ATOM 945 C ALA B 25 -13.113 -5.376 -3.616 1.00 0.00 C ATOM 946 O ALA B 25 -14.139 -5.718 -4.201 1.00 0.00 O ATOM 947 CB ALA B 25 -11.141 -5.632 -5.117 1.00 0.00 C ATOM 0 H ALA B 25 -10.251 -4.200 -3.295 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.467 -3.954 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.767 -6.219 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.392 -5.093 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.644 -6.297 -4.411 1.00 0.00 H new ATOM 953 N ARG B 26 -12.908 -5.628 -2.330 1.00 0.00 N ATOM 954 CA ARG B 26 -13.901 -6.341 -1.540 1.00 0.00 C ATOM 955 C ARG B 26 -15.053 -5.406 -1.183 1.00 0.00 C ATOM 956 O ARG B 26 -16.222 -5.801 -1.220 1.00 0.00 O ATOM 957 CB ARG B 26 -13.258 -6.959 -0.288 1.00 0.00 C ATOM 958 CG ARG B 26 -13.364 -6.130 0.983 1.00 0.00 C ATOM 959 CD ARG B 26 -12.732 -6.847 2.164 1.00 0.00 C ATOM 960 NE ARG B 26 -12.918 -6.116 3.416 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.491 -6.547 4.603 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.833 -7.695 4.706 1.00 0.00 N ATOM 963 NH2 ARG B 26 -12.716 -5.821 5.687 1.00 0.00 N ATOM 0 H ARG B 26 -12.071 -5.352 -1.816 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.306 -7.162 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -13.719 -7.930 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.203 -7.140 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.874 -5.168 0.834 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.412 -5.924 1.199 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -13.167 -7.842 2.258 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.666 -6.981 1.978 1.00 0.00 H new ATOM 0 HE ARG B 26 -13.405 -5.220 3.379 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.651 -8.255 3.873 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.510 -8.017 5.618 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -13.215 -4.934 5.613 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -12.390 -6.148 6.597 1.00 0.00 H new ATOM 977 N LEU B 27 -14.718 -4.161 -0.864 1.00 0.00 N ATOM 978 CA LEU B 27 -15.738 -3.145 -0.604 1.00 0.00 C ATOM 979 C LEU B 27 -16.524 -2.820 -1.872 1.00 0.00 C ATOM 980 O LEU B 27 -17.676 -2.406 -1.794 1.00 0.00 O ATOM 981 CB LEU B 27 -15.141 -1.855 -0.025 1.00 0.00 C ATOM 982 CG LEU B 27 -14.837 -1.869 1.479 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.724 -2.842 1.810 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.483 -0.477 1.964 1.00 0.00 C ATOM 0 H LEU B 27 -13.757 -3.830 -0.779 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.412 -3.568 0.140 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.217 -1.634 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.831 -1.036 -0.228 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.737 -2.202 1.995 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.534 -2.827 2.883 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.018 -3.847 1.508 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.818 -2.553 1.277 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.271 -0.507 3.033 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.604 -0.118 1.429 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.320 0.196 1.779 1.00 0.00 H new ATOM 996 N LYS B 28 -15.903 -3.013 -3.036 1.00 0.00 N ATOM 997 CA LYS B 28 -16.582 -2.786 -4.314 1.00 0.00 C ATOM 998 C LYS B 28 -17.871 -3.599 -4.404 1.00 0.00 C ATOM 999 O LYS B 28 -18.886 -3.115 -4.904 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.667 -3.138 -5.490 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.484 -2.196 -5.657 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.935 -0.781 -5.986 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.750 0.156 -6.170 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.926 -0.207 -7.351 1.00 0.00 N ATOM 0 H LYS B 28 -14.935 -3.325 -3.121 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.832 -1.726 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -15.294 -4.153 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -16.254 -3.133 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.894 -2.186 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.834 -2.565 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.535 -0.792 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.575 -0.407 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.111 1.178 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.129 0.133 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.247 0.556 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.410 -1.089 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.544 -0.342 -8.177 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.834 -4.829 -3.906 1.00 0.00 N ATOM 1019 CA LYS B 29 -19.009 -5.682 -3.909 1.00 0.00 C ATOM 1020 C LYS B 29 -19.971 -5.259 -2.810 1.00 0.00 C ATOM 1021 O LYS B 29 -21.183 -5.387 -2.951 1.00 0.00 O ATOM 1022 CB LYS B 29 -18.626 -7.155 -3.725 1.00 0.00 C ATOM 1023 CG LYS B 29 -18.026 -7.833 -4.957 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.704 -7.206 -5.371 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.148 -7.850 -6.628 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.037 -7.643 -7.800 1.00 0.00 N ATOM 0 H LYS B 29 -17.003 -5.255 -3.496 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.498 -5.573 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.910 -7.228 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.514 -7.709 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.874 -8.892 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.732 -7.769 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.845 -6.138 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.983 -7.308 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.163 -7.435 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.014 -8.918 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.518 -7.867 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.866 -8.266 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.350 -6.652 -7.828 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.424 -4.734 -1.721 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.244 -4.250 -0.618 1.00 0.00 C ATOM 1042 C LEU B 30 -21.005 -2.993 -1.033 1.00 0.00 C ATOM 1043 O LEU B 30 -22.012 -2.633 -0.425 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.376 -3.962 0.610 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.525 -5.137 1.101 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.718 -4.735 2.324 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.400 -6.341 1.415 1.00 0.00 C ATOM 0 H LEU B 30 -18.419 -4.633 -1.578 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.965 -5.026 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.714 -3.127 0.379 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.024 -3.639 1.425 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.834 -5.414 0.305 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.119 -5.582 2.659 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.060 -3.904 2.069 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.395 -4.430 3.122 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.775 -7.164 1.762 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.117 -6.077 2.192 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.936 -6.646 0.516 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.508 -2.327 -2.070 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.175 -1.157 -2.628 1.00 0.00 C ATOM 1061 C VAL B 31 -22.082 -1.561 -3.794 1.00 0.00 C ATOM 1062 O VAL B 31 -23.117 -0.941 -4.035 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.150 -0.096 -3.112 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.854 1.126 -3.686 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.226 0.314 -1.977 1.00 0.00 C ATOM 0 H VAL B 31 -19.640 -2.580 -2.543 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.779 -0.717 -1.835 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.552 -0.548 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.111 1.852 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.471 0.826 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.485 1.576 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.515 1.058 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.815 0.738 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.684 -0.560 -1.615 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.711 -2.632 -4.485 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.430 -3.027 -5.682 1.00 0.00 C ATOM 1077 C GLY B 32 -23.585 -3.973 -5.408 1.00 0.00 C ATOM 1078 O GLY B 32 -24.617 -3.896 -6.075 1.00 0.00 O ATOM 0 H GLY B 32 -20.925 -3.234 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.811 -2.135 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.735 -3.504 -6.373 1.00 0.00 H new ATOM 1082 N GLU B 33 -23.412 -4.853 -4.419 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.395 -5.893 -4.098 1.00 0.00 C ATOM 1084 C GLU B 33 -24.444 -6.925 -5.216 1.00 0.00 C ATOM 1085 O GLU B 33 -23.589 -7.827 -5.228 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.805 -5.328 -3.854 1.00 0.00 C ATOM 1087 CG GLU B 33 -25.960 -4.523 -2.572 1.00 0.00 C ATOM 1088 CD GLU B 33 -25.321 -3.154 -2.647 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.241 -2.972 -2.052 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -25.899 -2.265 -3.307 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.332 -6.828 -6.086 1.00 0.00 O ATOM 0 H GLU B 33 -22.588 -4.866 -3.818 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.069 -6.359 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -26.078 -4.695 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -26.514 -6.156 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -27.021 -4.410 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -25.517 -5.079 -1.746 1.00 0.00 H new TER 1098 GLU B 33