USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 22 THR OG1 : rot 124:sc= 0.898 USER MOD Set 1.2: A 25 MET CE :methyl -150:sc= -0.0186 (180deg=-1.41) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -153:sc= -0.0212 (180deg=-0.154) USER MOD Set 2.2: A 27 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -43:sc= 0.00272 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 8 SER OG : rot -150:sc= -0.282 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 23 MET CE :methyl 179:sc= 0 (180deg=-0.00178) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.505 K(o=0.51,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= -0.0485 (180deg=-0.0757) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.307 X(o=0.31,f=-0.15) USER MOD Single : A 67 HIS : no HD1:sc= -0.828 X(o=-0.83,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.0252 (180deg=-0.189) USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= 0.855 (180deg=-0.455) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.365 -15.575 8.943 1.00 0.00 N ATOM 2 CA GLY A 1 -20.385 -14.937 9.783 1.00 0.00 C ATOM 3 C GLY A 1 -21.411 -14.306 8.866 1.00 0.00 C ATOM 4 O GLY A 1 -21.999 -14.989 8.029 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.645 -16.018 9.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.811 -16.301 8.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.916 -14.858 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.857 -15.672 10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.933 -14.183 10.427 1.00 0.00 H new ATOM 8 N SER A 2 -21.618 -12.999 9.006 1.00 0.00 N ATOM 9 CA SER A 2 -22.524 -12.194 8.196 1.00 0.00 C ATOM 10 C SER A 2 -21.797 -10.924 7.730 1.00 0.00 C ATOM 11 O SER A 2 -22.340 -10.166 6.925 1.00 0.00 O ATOM 12 CB SER A 2 -23.805 -11.878 8.971 1.00 0.00 C ATOM 13 OG SER A 2 -24.866 -11.540 8.093 1.00 0.00 O ATOM 0 H SER A 2 -21.137 -12.450 9.718 1.00 0.00 H new ATOM 0 HA SER A 2 -22.825 -12.755 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.090 -12.740 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.622 -11.053 9.659 1.00 0.00 H new ATOM 0 HG SER A 2 -24.534 -10.935 7.397 1.00 0.00 H new ATOM 19 N SER A 3 -20.598 -10.652 8.255 1.00 0.00 N ATOM 20 CA SER A 3 -19.786 -9.506 7.899 1.00 0.00 C ATOM 21 C SER A 3 -19.156 -9.729 6.526 1.00 0.00 C ATOM 22 O SER A 3 -19.059 -10.872 6.055 1.00 0.00 O ATOM 23 CB SER A 3 -18.669 -9.342 8.932 1.00 0.00 C ATOM 24 OG SER A 3 -19.184 -9.143 10.236 1.00 0.00 O ATOM 0 H SER A 3 -20.161 -11.247 8.959 1.00 0.00 H new ATOM 0 HA SER A 3 -20.412 -8.614 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.033 -10.227 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.040 -8.495 8.656 1.00 0.00 H new ATOM 0 HG SER A 3 -18.442 -9.044 10.869 1.00 0.00 H new ATOM 30 N GLY A 4 -18.725 -8.636 5.904 1.00 0.00 N ATOM 31 CA GLY A 4 -18.080 -8.604 4.609 1.00 0.00 C ATOM 32 C GLY A 4 -17.084 -7.454 4.607 1.00 0.00 C ATOM 33 O GLY A 4 -17.206 -6.514 5.402 1.00 0.00 O ATOM 0 H GLY A 4 -18.824 -7.708 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.572 -9.548 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.819 -8.470 3.819 1.00 0.00 H new ATOM 37 N SER A 5 -16.138 -7.499 3.672 1.00 0.00 N ATOM 38 CA SER A 5 -15.072 -6.521 3.506 1.00 0.00 C ATOM 39 C SER A 5 -14.792 -6.232 2.024 1.00 0.00 C ATOM 40 O SER A 5 -13.678 -5.827 1.678 1.00 0.00 O ATOM 41 CB SER A 5 -13.833 -7.046 4.256 1.00 0.00 C ATOM 42 OG SER A 5 -13.544 -8.383 3.880 1.00 0.00 O ATOM 0 H SER A 5 -16.094 -8.249 2.983 1.00 0.00 H new ATOM 0 HA SER A 5 -15.368 -5.562 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.975 -6.409 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.005 -6.995 5.331 1.00 0.00 H new ATOM 0 HG SER A 5 -12.753 -8.696 4.367 1.00 0.00 H new ATOM 48 N SER A 6 -15.768 -6.435 1.132 1.00 0.00 N ATOM 49 CA SER A 6 -15.627 -6.207 -0.308 1.00 0.00 C ATOM 50 C SER A 6 -15.149 -4.776 -0.573 1.00 0.00 C ATOM 51 O SER A 6 -15.761 -3.825 -0.072 1.00 0.00 O ATOM 52 CB SER A 6 -16.961 -6.477 -1.002 1.00 0.00 C ATOM 53 OG SER A 6 -17.561 -7.643 -0.468 1.00 0.00 O ATOM 0 H SER A 6 -16.695 -6.769 1.397 1.00 0.00 H new ATOM 0 HA SER A 6 -14.880 -6.891 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.627 -5.624 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.804 -6.598 -2.074 1.00 0.00 H new ATOM 0 HG SER A 6 -18.416 -7.806 -0.918 1.00 0.00 H new ATOM 59 N GLY A 7 -14.071 -4.620 -1.343 1.00 0.00 N ATOM 60 CA GLY A 7 -13.422 -3.360 -1.700 1.00 0.00 C ATOM 61 C GLY A 7 -11.898 -3.544 -1.715 1.00 0.00 C ATOM 62 O GLY A 7 -11.431 -4.678 -1.599 1.00 0.00 O ATOM 0 H GLY A 7 -13.599 -5.422 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.767 -3.028 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.696 -2.584 -0.985 1.00 0.00 H new ATOM 66 N SER A 8 -11.140 -2.451 -1.857 1.00 0.00 N ATOM 67 CA SER A 8 -9.672 -2.413 -1.876 1.00 0.00 C ATOM 68 C SER A 8 -9.150 -1.116 -1.255 1.00 0.00 C ATOM 69 O SER A 8 -9.915 -0.160 -1.067 1.00 0.00 O ATOM 70 CB SER A 8 -9.115 -2.695 -3.274 1.00 0.00 C ATOM 71 OG SER A 8 -8.738 -4.058 -3.324 1.00 0.00 O ATOM 0 H SER A 8 -11.552 -1.525 -1.967 1.00 0.00 H new ATOM 0 HA SER A 8 -9.298 -3.222 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.865 -2.478 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.258 -2.054 -3.480 1.00 0.00 H new ATOM 0 HG SER A 8 -7.990 -4.168 -3.948 1.00 0.00 H new ATOM 77 N VAL A 9 -7.870 -1.119 -0.877 1.00 0.00 N ATOM 78 CA VAL A 9 -7.159 -0.019 -0.235 1.00 0.00 C ATOM 79 C VAL A 9 -6.926 1.152 -1.185 1.00 0.00 C ATOM 80 O VAL A 9 -6.579 0.980 -2.356 1.00 0.00 O ATOM 81 CB VAL A 9 -5.807 -0.518 0.334 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.057 0.564 1.130 1.00 0.00 C ATOM 83 CG2 VAL A 9 -5.995 -1.716 1.278 1.00 0.00 C ATOM 0 H VAL A 9 -7.273 -1.934 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.788 0.342 0.579 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.225 -0.800 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.118 0.156 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.850 1.415 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.671 0.889 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.024 -2.037 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.632 -1.425 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.462 -2.537 0.735 1.00 0.00 H new ATOM 93 N VAL A 10 -7.080 2.351 -0.633 1.00 0.00 N ATOM 94 CA VAL A 10 -6.891 3.632 -1.283 1.00 0.00 C ATOM 95 C VAL A 10 -6.187 4.550 -0.274 1.00 0.00 C ATOM 96 O VAL A 10 -6.184 4.283 0.937 1.00 0.00 O ATOM 97 CB VAL A 10 -8.230 4.221 -1.792 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.930 3.307 -2.805 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.196 4.545 -0.649 1.00 0.00 C ATOM 0 H VAL A 10 -7.358 2.454 0.343 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.275 3.524 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.959 5.149 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.863 3.769 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.282 3.157 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.144 2.345 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.119 4.955 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.419 3.635 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.739 5.276 0.018 1.00 0.00 H new ATOM 109 N ALA A 11 -5.545 5.609 -0.756 1.00 0.00 N ATOM 110 CA ALA A 11 -4.859 6.559 0.101 1.00 0.00 C ATOM 111 C ALA A 11 -5.882 7.536 0.670 1.00 0.00 C ATOM 112 O ALA A 11 -6.785 7.990 -0.025 1.00 0.00 O ATOM 113 CB ALA A 11 -3.800 7.293 -0.703 1.00 0.00 C ATOM 0 H ALA A 11 -5.488 5.829 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.367 6.041 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.285 8.006 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.081 6.575 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.273 7.825 -1.528 1.00 0.00 H new ATOM 119 N LYS A 12 -5.753 7.862 1.950 1.00 0.00 N ATOM 120 CA LYS A 12 -6.647 8.792 2.639 1.00 0.00 C ATOM 121 C LYS A 12 -6.260 10.246 2.371 1.00 0.00 C ATOM 122 O LYS A 12 -7.093 11.130 2.544 1.00 0.00 O ATOM 123 CB LYS A 12 -6.633 8.453 4.134 1.00 0.00 C ATOM 124 CG LYS A 12 -7.538 9.334 5.004 1.00 0.00 C ATOM 125 CD LYS A 12 -8.005 8.588 6.260 1.00 0.00 C ATOM 126 CE LYS A 12 -9.253 7.781 5.900 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.477 6.651 6.820 1.00 0.00 N ATOM 0 H LYS A 12 -5.017 7.485 2.548 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.662 8.682 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.934 7.413 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.610 8.535 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.000 10.236 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.405 9.652 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.218 7.928 6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.226 9.293 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.123 8.437 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.157 7.403 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.001 5.900 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.561 6.279 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.028 6.975 7.640 1.00 0.00 H new ATOM 141 N VAL A 13 -5.016 10.515 1.992 1.00 0.00 N ATOM 142 CA VAL A 13 -4.504 11.851 1.696 1.00 0.00 C ATOM 143 C VAL A 13 -3.480 11.732 0.571 1.00 0.00 C ATOM 144 O VAL A 13 -3.097 10.621 0.205 1.00 0.00 O ATOM 145 CB VAL A 13 -3.841 12.478 2.949 1.00 0.00 C ATOM 146 CG1 VAL A 13 -4.785 12.585 4.154 1.00 0.00 C ATOM 147 CG2 VAL A 13 -2.586 11.718 3.409 1.00 0.00 C ATOM 0 H VAL A 13 -4.312 9.786 1.878 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.328 12.498 1.395 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.567 13.479 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.254 13.033 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.640 13.208 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.133 11.590 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.168 12.205 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.853 10.690 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.846 11.719 2.608 1.00 0.00 H new ATOM 157 N LYS A 14 -3.033 12.857 0.013 1.00 0.00 N ATOM 158 CA LYS A 14 -2.020 12.867 -1.035 1.00 0.00 C ATOM 159 C LYS A 14 -0.701 12.507 -0.336 1.00 0.00 C ATOM 160 O LYS A 14 -0.157 13.332 0.396 1.00 0.00 O ATOM 161 CB LYS A 14 -2.014 14.252 -1.703 1.00 0.00 C ATOM 162 CG LYS A 14 -0.933 14.394 -2.780 1.00 0.00 C ATOM 163 CD LYS A 14 -0.995 15.781 -3.429 1.00 0.00 C ATOM 164 CE LYS A 14 0.063 15.879 -4.529 1.00 0.00 C ATOM 165 NZ LYS A 14 1.432 16.091 -4.015 1.00 0.00 N ATOM 0 H LYS A 14 -3.364 13.785 0.277 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.202 12.152 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.991 14.438 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.862 15.016 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.051 14.237 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.067 13.625 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.987 15.954 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.827 16.553 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.044 14.965 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.196 16.699 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.097 16.148 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.466 16.977 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.698 15.297 -3.398 1.00 0.00 H new ATOM 179 N ILE A 15 -0.205 11.282 -0.487 1.00 0.00 N ATOM 180 CA ILE A 15 1.028 10.816 0.150 1.00 0.00 C ATOM 181 C ILE A 15 2.218 11.145 -0.761 1.00 0.00 C ATOM 182 O ILE A 15 2.336 10.515 -1.811 1.00 0.00 O ATOM 183 CB ILE A 15 0.972 9.295 0.465 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.405 8.852 1.004 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.108 8.938 1.439 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.504 7.361 1.322 1.00 0.00 C ATOM 0 H ILE A 15 -0.655 10.572 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 15 1.147 11.331 1.104 1.00 0.00 H new ATOM 0 HB ILE A 15 1.112 8.746 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.629 9.420 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.169 9.107 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.073 7.872 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.068 9.182 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.989 9.507 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.503 7.134 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.314 6.783 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.234 7.101 2.081 1.00 0.00 H new ATOM 198 N PRO A 16 3.099 12.104 -0.429 1.00 0.00 N ATOM 199 CA PRO A 16 4.236 12.398 -1.287 1.00 0.00 C ATOM 200 C PRO A 16 5.235 11.239 -1.247 1.00 0.00 C ATOM 201 O PRO A 16 5.360 10.540 -0.232 1.00 0.00 O ATOM 202 CB PRO A 16 4.819 13.709 -0.764 1.00 0.00 C ATOM 203 CG PRO A 16 4.386 13.776 0.698 1.00 0.00 C ATOM 204 CD PRO A 16 3.108 12.942 0.762 1.00 0.00 C ATOM 0 HA PRO A 16 3.960 12.508 -2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.905 13.723 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.441 14.562 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.155 13.374 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.204 14.804 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.088 12.332 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.227 13.584 0.791 1.00 0.00 H new ATOM 212 N GLU A 17 5.949 11.028 -2.351 1.00 0.00 N ATOM 213 CA GLU A 17 6.955 9.981 -2.496 1.00 0.00 C ATOM 214 C GLU A 17 7.955 10.027 -1.328 1.00 0.00 C ATOM 215 O GLU A 17 8.308 11.101 -0.832 1.00 0.00 O ATOM 216 CB GLU A 17 7.652 10.143 -3.856 1.00 0.00 C ATOM 217 CG GLU A 17 8.878 9.240 -4.056 1.00 0.00 C ATOM 218 CD GLU A 17 9.719 9.610 -5.279 1.00 0.00 C ATOM 219 OE1 GLU A 17 9.201 9.765 -6.408 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.945 9.810 -5.093 1.00 0.00 O ATOM 0 H GLU A 17 5.840 11.596 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 17 6.479 9.001 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.931 9.935 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.960 11.182 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.505 9.291 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.545 8.207 -4.153 1.00 0.00 H new ATOM 227 N GLY A 18 8.418 8.856 -0.877 1.00 0.00 N ATOM 228 CA GLY A 18 9.382 8.748 0.206 1.00 0.00 C ATOM 229 C GLY A 18 8.774 8.804 1.602 1.00 0.00 C ATOM 230 O GLY A 18 9.516 8.733 2.577 1.00 0.00 O ATOM 0 H GLY A 18 8.128 7.956 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.927 7.810 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.111 9.553 0.108 1.00 0.00 H new ATOM 234 N THR A 19 7.450 8.902 1.721 1.00 0.00 N ATOM 235 CA THR A 19 6.759 8.956 3.003 1.00 0.00 C ATOM 236 C THR A 19 6.384 7.534 3.450 1.00 0.00 C ATOM 237 O THR A 19 6.054 6.688 2.610 1.00 0.00 O ATOM 238 CB THR A 19 5.524 9.846 2.809 1.00 0.00 C ATOM 239 OG1 THR A 19 5.917 11.118 2.330 1.00 0.00 O ATOM 240 CG2 THR A 19 4.672 10.054 4.055 1.00 0.00 C ATOM 0 H THR A 19 6.822 8.946 0.918 1.00 0.00 H new ATOM 0 HA THR A 19 7.389 9.375 3.787 1.00 0.00 H new ATOM 0 HB THR A 19 4.905 9.307 2.092 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.814 11.147 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.825 10.696 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.307 9.091 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.274 10.524 4.833 1.00 0.00 H new ATOM 248 N ILE A 20 6.470 7.248 4.755 1.00 0.00 N ATOM 249 CA ILE A 20 6.111 5.947 5.319 1.00 0.00 C ATOM 250 C ILE A 20 4.578 5.916 5.415 1.00 0.00 C ATOM 251 O ILE A 20 3.957 6.880 5.869 1.00 0.00 O ATOM 252 CB ILE A 20 6.740 5.751 6.726 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.265 5.526 6.670 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.065 4.624 7.534 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.716 4.083 6.390 1.00 0.00 C ATOM 0 H ILE A 20 6.793 7.919 5.451 1.00 0.00 H new ATOM 0 HA ILE A 20 6.488 5.142 4.688 1.00 0.00 H new ATOM 0 HB ILE A 20 6.557 6.690 7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.681 6.173 5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.696 5.844 7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.548 4.535 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.009 4.858 7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.160 3.682 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.805 4.039 6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.339 3.425 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.324 3.760 5.425 1.00 0.00 H new ATOM 267 N LEU A 21 3.958 4.812 5.015 1.00 0.00 N ATOM 268 CA LEU A 21 2.519 4.607 5.058 1.00 0.00 C ATOM 269 C LEU A 21 2.084 4.365 6.506 1.00 0.00 C ATOM 270 O LEU A 21 2.768 3.679 7.276 1.00 0.00 O ATOM 271 CB LEU A 21 2.149 3.383 4.202 1.00 0.00 C ATOM 272 CG LEU A 21 2.210 3.597 2.676 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.856 2.305 1.936 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.226 4.676 2.225 1.00 0.00 C ATOM 0 H LEU A 21 4.462 4.009 4.639 1.00 0.00 H new ATOM 0 HA LEU A 21 2.014 5.490 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.818 2.563 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.140 3.068 4.467 1.00 0.00 H new ATOM 0 HG LEU A 21 3.229 3.905 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.905 2.477 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.563 1.523 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.847 1.994 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.294 4.802 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.212 4.378 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.469 5.618 2.716 1.00 0.00 H new ATOM 286 N THR A 22 0.927 4.903 6.885 1.00 0.00 N ATOM 287 CA THR A 22 0.339 4.760 8.213 1.00 0.00 C ATOM 288 C THR A 22 -1.171 4.604 8.018 1.00 0.00 C ATOM 289 O THR A 22 -1.682 4.896 6.929 1.00 0.00 O ATOM 290 CB THR A 22 0.672 5.961 9.127 1.00 0.00 C ATOM 291 OG1 THR A 22 0.041 7.142 8.679 1.00 0.00 O ATOM 292 CG2 THR A 22 2.175 6.232 9.255 1.00 0.00 C ATOM 0 H THR A 22 0.356 5.468 6.256 1.00 0.00 H new ATOM 0 HA THR A 22 0.755 3.887 8.717 1.00 0.00 H new ATOM 0 HB THR A 22 0.293 5.680 10.110 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.508 7.513 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.336 7.088 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.668 5.355 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.591 6.446 8.271 1.00 0.00 H new ATOM 300 N MET A 23 -1.897 4.166 9.050 1.00 0.00 N ATOM 301 CA MET A 23 -3.346 4.017 8.946 1.00 0.00 C ATOM 302 C MET A 23 -4.014 5.387 8.744 1.00 0.00 C ATOM 303 O MET A 23 -5.130 5.459 8.233 1.00 0.00 O ATOM 304 CB MET A 23 -3.921 3.347 10.207 1.00 0.00 C ATOM 305 CG MET A 23 -3.879 1.819 10.140 1.00 0.00 C ATOM 306 SD MET A 23 -4.839 1.116 8.767 1.00 0.00 S ATOM 307 CE MET A 23 -4.840 -0.629 9.244 1.00 0.00 C ATOM 0 H MET A 23 -1.508 3.911 9.958 1.00 0.00 H new ATOM 0 HA MET A 23 -3.555 3.383 8.084 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.360 3.683 11.079 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.952 3.671 10.347 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.842 1.498 10.047 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.256 1.413 11.079 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.406 -1.206 8.513 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.815 -0.997 9.281 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.300 -0.737 10.226 1.00 0.00 H new ATOM 317 N ASP A 24 -3.341 6.478 9.134 1.00 0.00 N ATOM 318 CA ASP A 24 -3.839 7.849 9.006 1.00 0.00 C ATOM 319 C ASP A 24 -3.930 8.276 7.546 1.00 0.00 C ATOM 320 O ASP A 24 -4.764 9.107 7.197 1.00 0.00 O ATOM 321 CB ASP A 24 -2.879 8.878 9.635 1.00 0.00 C ATOM 322 CG ASP A 24 -2.346 8.511 11.002 1.00 0.00 C ATOM 323 OD1 ASP A 24 -1.343 7.754 11.061 1.00 0.00 O ATOM 324 OD2 ASP A 24 -2.904 8.976 12.016 1.00 0.00 O ATOM 0 H ASP A 24 -2.414 6.428 9.557 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.809 7.837 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.035 9.023 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.396 9.835 9.709 1.00 0.00 H new ATOM 329 N MET A 25 -3.049 7.735 6.701 1.00 0.00 N ATOM 330 CA MET A 25 -2.957 8.061 5.288 1.00 0.00 C ATOM 331 C MET A 25 -3.508 6.955 4.392 1.00 0.00 C ATOM 332 O MET A 25 -3.322 7.011 3.181 1.00 0.00 O ATOM 333 CB MET A 25 -1.501 8.416 4.956 1.00 0.00 C ATOM 334 CG MET A 25 -1.016 9.604 5.799 1.00 0.00 C ATOM 335 SD MET A 25 0.596 10.281 5.325 1.00 0.00 S ATOM 336 CE MET A 25 1.622 8.852 5.729 1.00 0.00 C ATOM 0 H MET A 25 -2.364 7.039 6.996 1.00 0.00 H new ATOM 0 HA MET A 25 -3.589 8.926 5.084 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.862 7.552 5.138 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.415 8.658 3.897 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.758 10.400 5.737 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.969 9.293 6.843 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.617 9.189 6.021 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.169 8.300 6.553 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.701 8.202 4.857 1.00 0.00 H new ATOM 346 N LEU A 26 -4.185 5.952 4.948 1.00 0.00 N ATOM 347 CA LEU A 26 -4.763 4.843 4.196 1.00 0.00 C ATOM 348 C LEU A 26 -6.201 4.637 4.644 1.00 0.00 C ATOM 349 O LEU A 26 -6.604 5.102 5.709 1.00 0.00 O ATOM 350 CB LEU A 26 -3.958 3.554 4.438 1.00 0.00 C ATOM 351 CG LEU A 26 -2.565 3.526 3.779 1.00 0.00 C ATOM 352 CD1 LEU A 26 -1.865 2.220 4.169 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.648 3.606 2.252 1.00 0.00 C ATOM 0 H LEU A 26 -4.349 5.887 5.953 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.734 5.077 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.839 3.414 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.536 2.707 4.068 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.008 4.395 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.877 2.186 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.763 2.171 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.456 1.373 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.643 3.583 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.219 2.758 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.141 4.534 1.963 1.00 0.00 H new ATOM 365 N THR A 27 -6.975 3.928 3.835 1.00 0.00 N ATOM 366 CA THR A 27 -8.367 3.597 4.076 1.00 0.00 C ATOM 367 C THR A 27 -8.755 2.571 3.018 1.00 0.00 C ATOM 368 O THR A 27 -7.963 2.239 2.133 1.00 0.00 O ATOM 369 CB THR A 27 -9.220 4.885 4.017 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.520 4.729 4.561 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.347 5.549 2.647 1.00 0.00 C ATOM 0 H THR A 27 -6.631 3.551 2.952 1.00 0.00 H new ATOM 0 HA THR A 27 -8.535 3.170 5.065 1.00 0.00 H new ATOM 0 HB THR A 27 -8.630 5.555 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.006 5.577 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.967 6.441 2.731 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.358 5.828 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.807 4.852 1.946 1.00 0.00 H new ATOM 379 N VAL A 28 -9.966 2.046 3.115 1.00 0.00 N ATOM 380 CA VAL A 28 -10.498 1.093 2.164 1.00 0.00 C ATOM 381 C VAL A 28 -11.669 1.822 1.503 1.00 0.00 C ATOM 382 O VAL A 28 -12.211 2.795 2.046 1.00 0.00 O ATOM 383 CB VAL A 28 -10.837 -0.244 2.862 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.362 -1.299 1.879 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.599 -0.809 3.578 1.00 0.00 C ATOM 0 H VAL A 28 -10.614 2.276 3.869 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.793 0.785 1.392 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.624 -0.025 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.586 -2.219 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.269 -0.930 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.605 -1.498 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.857 -1.750 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.805 -0.981 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.256 -0.096 4.328 1.00 0.00 H new ATOM 395 N LYS A 29 -12.028 1.392 0.301 1.00 0.00 N ATOM 396 CA LYS A 29 -13.119 1.932 -0.488 1.00 0.00 C ATOM 397 C LYS A 29 -13.944 0.714 -0.825 1.00 0.00 C ATOM 398 O LYS A 29 -13.430 -0.183 -1.503 1.00 0.00 O ATOM 399 CB LYS A 29 -12.558 2.683 -1.701 1.00 0.00 C ATOM 400 CG LYS A 29 -13.638 3.490 -2.432 1.00 0.00 C ATOM 401 CD LYS A 29 -13.013 4.463 -3.442 1.00 0.00 C ATOM 402 CE LYS A 29 -12.292 3.792 -4.615 1.00 0.00 C ATOM 403 NZ LYS A 29 -13.206 3.412 -5.707 1.00 0.00 N ATOM 0 H LYS A 29 -11.545 0.625 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.735 2.675 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.763 3.354 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.109 1.970 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.316 2.811 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.234 4.046 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.797 5.109 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.305 5.105 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.532 4.470 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.773 2.903 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.664 2.963 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.917 2.743 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.683 4.261 -6.072 1.00 0.00 H new ATOM 417 N VAL A 30 -15.152 0.601 -0.276 1.00 0.00 N ATOM 418 CA VAL A 30 -15.978 -0.565 -0.555 1.00 0.00 C ATOM 419 C VAL A 30 -16.315 -0.630 -2.049 1.00 0.00 C ATOM 420 O VAL A 30 -16.230 0.380 -2.754 1.00 0.00 O ATOM 421 CB VAL A 30 -17.223 -0.612 0.354 1.00 0.00 C ATOM 422 CG1 VAL A 30 -16.833 -0.729 1.835 1.00 0.00 C ATOM 423 CG2 VAL A 30 -18.176 0.575 0.180 1.00 0.00 C ATOM 0 H VAL A 30 -15.571 1.288 0.351 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.410 -1.464 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.761 -1.505 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -17.734 -0.760 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -16.259 -1.642 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.229 0.132 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -19.024 0.463 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.649 1.501 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -18.534 0.606 -0.849 1.00 0.00 H new ATOM 433 N GLY A 31 -16.676 -1.816 -2.538 1.00 0.00 N ATOM 434 CA GLY A 31 -17.041 -2.030 -3.928 1.00 0.00 C ATOM 435 C GLY A 31 -16.316 -3.215 -4.537 1.00 0.00 C ATOM 436 O GLY A 31 -16.745 -4.349 -4.330 1.00 0.00 O ATOM 0 H GLY A 31 -16.722 -2.661 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -18.117 -2.190 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.814 -1.133 -4.503 1.00 0.00 H new ATOM 440 N GLU A 32 -15.214 -2.953 -5.240 1.00 0.00 N ATOM 441 CA GLU A 32 -14.400 -3.942 -5.945 1.00 0.00 C ATOM 442 C GLU A 32 -12.976 -4.076 -5.383 1.00 0.00 C ATOM 443 O GLU A 32 -12.456 -3.110 -4.825 1.00 0.00 O ATOM 444 CB GLU A 32 -14.352 -3.517 -7.432 1.00 0.00 C ATOM 445 CG GLU A 32 -13.800 -2.092 -7.654 1.00 0.00 C ATOM 446 CD GLU A 32 -13.928 -1.597 -9.097 1.00 0.00 C ATOM 447 OE1 GLU A 32 -15.059 -1.312 -9.535 1.00 0.00 O ATOM 448 OE2 GLU A 32 -12.884 -1.394 -9.766 1.00 0.00 O ATOM 0 H GLU A 32 -14.849 -2.005 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.856 -4.924 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.734 -4.226 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.357 -3.577 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.327 -1.402 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.749 -2.070 -7.364 1.00 0.00 H new ATOM 455 N PRO A 33 -12.294 -5.218 -5.603 1.00 0.00 N ATOM 456 CA PRO A 33 -10.933 -5.474 -5.136 1.00 0.00 C ATOM 457 C PRO A 33 -9.853 -4.773 -5.985 1.00 0.00 C ATOM 458 O PRO A 33 -8.684 -5.147 -5.908 1.00 0.00 O ATOM 459 CB PRO A 33 -10.780 -7.000 -5.169 1.00 0.00 C ATOM 460 CG PRO A 33 -11.630 -7.386 -6.369 1.00 0.00 C ATOM 461 CD PRO A 33 -12.808 -6.423 -6.242 1.00 0.00 C ATOM 0 HA PRO A 33 -10.786 -5.065 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.740 -7.302 -5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.139 -7.464 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.094 -7.254 -7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.948 -8.428 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.228 -6.193 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.608 -6.865 -5.648 1.00 0.00 H new ATOM 469 N LYS A 34 -10.203 -3.792 -6.827 1.00 0.00 N ATOM 470 CA LYS A 34 -9.254 -3.059 -7.669 1.00 0.00 C ATOM 471 C LYS A 34 -8.177 -2.461 -6.775 1.00 0.00 C ATOM 472 O LYS A 34 -8.475 -1.555 -5.999 1.00 0.00 O ATOM 473 CB LYS A 34 -10.000 -1.974 -8.456 1.00 0.00 C ATOM 474 CG LYS A 34 -9.136 -1.095 -9.377 1.00 0.00 C ATOM 475 CD LYS A 34 -8.626 -1.839 -10.618 1.00 0.00 C ATOM 476 CE LYS A 34 -8.257 -0.876 -11.749 1.00 0.00 C ATOM 477 NZ LYS A 34 -7.047 -0.071 -11.486 1.00 0.00 N ATOM 0 H LYS A 34 -11.168 -3.482 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.780 -3.725 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.768 -2.455 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.514 -1.326 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.718 -0.230 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.284 -0.716 -8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.754 -2.436 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.392 -2.532 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.107 -1.448 -12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.096 -0.203 -11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.863 0.555 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.191 0.503 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.233 -0.703 -11.346 1.00 0.00 H new ATOM 491 N GLY A 35 -6.941 -2.931 -6.907 1.00 0.00 N ATOM 492 CA GLY A 35 -5.825 -2.461 -6.108 1.00 0.00 C ATOM 493 C GLY A 35 -5.506 -3.437 -4.990 1.00 0.00 C ATOM 494 O GLY A 35 -6.006 -4.567 -4.958 1.00 0.00 O ATOM 0 H GLY A 35 -6.688 -3.655 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.948 -2.331 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.061 -1.484 -5.686 1.00 0.00 H new ATOM 498 N TYR A 36 -4.633 -2.998 -4.092 1.00 0.00 N ATOM 499 CA TYR A 36 -4.193 -3.784 -2.955 1.00 0.00 C ATOM 500 C TYR A 36 -5.403 -4.195 -2.089 1.00 0.00 C ATOM 501 O TYR A 36 -6.215 -3.324 -1.759 1.00 0.00 O ATOM 502 CB TYR A 36 -3.146 -2.976 -2.192 1.00 0.00 C ATOM 503 CG TYR A 36 -2.214 -3.873 -1.423 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.092 -4.429 -2.069 1.00 0.00 C ATOM 505 CD2 TYR A 36 -2.499 -4.191 -0.087 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.269 -5.337 -1.387 1.00 0.00 C ATOM 507 CE2 TYR A 36 -1.666 -5.076 0.605 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.584 -5.690 -0.057 1.00 0.00 C ATOM 509 OH TYR A 36 0.183 -6.597 0.599 1.00 0.00 O ATOM 0 H TYR A 36 -4.207 -2.072 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.728 -4.716 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.573 -2.367 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.643 -2.290 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.866 -4.156 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.356 -3.755 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.596 -5.762 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.852 -5.289 1.647 1.00 0.00 H new ATOM 0 HH TYR A 36 0.175 -6.399 1.559 1.00 0.00 H new ATOM 519 N PRO A 37 -5.559 -5.480 -1.716 1.00 0.00 N ATOM 520 CA PRO A 37 -6.693 -5.943 -0.921 1.00 0.00 C ATOM 521 C PRO A 37 -6.677 -5.350 0.493 1.00 0.00 C ATOM 522 O PRO A 37 -5.605 -5.054 1.030 1.00 0.00 O ATOM 523 CB PRO A 37 -6.603 -7.470 -0.914 1.00 0.00 C ATOM 524 CG PRO A 37 -5.112 -7.728 -1.088 1.00 0.00 C ATOM 525 CD PRO A 37 -4.680 -6.598 -2.021 1.00 0.00 C ATOM 0 HA PRO A 37 -7.640 -5.613 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.979 -7.892 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.186 -7.912 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.581 -7.692 -0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.919 -8.708 -1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.636 -6.332 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.772 -6.895 -3.066 1.00 0.00 H new ATOM 533 N PRO A 38 -7.847 -5.210 1.142 1.00 0.00 N ATOM 534 CA PRO A 38 -7.915 -4.631 2.470 1.00 0.00 C ATOM 535 C PRO A 38 -7.484 -5.579 3.578 1.00 0.00 C ATOM 536 O PRO A 38 -7.083 -5.093 4.629 1.00 0.00 O ATOM 537 CB PRO A 38 -9.360 -4.183 2.625 1.00 0.00 C ATOM 538 CG PRO A 38 -10.164 -5.149 1.766 1.00 0.00 C ATOM 539 CD PRO A 38 -9.184 -5.526 0.649 1.00 0.00 C ATOM 0 HA PRO A 38 -7.211 -3.804 2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.677 -4.224 3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.492 -3.154 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.482 -6.023 2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.065 -4.681 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.266 -6.585 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.402 -4.969 -0.262 1.00 0.00 H new ATOM 547 N GLU A 39 -7.533 -6.896 3.380 1.00 0.00 N ATOM 548 CA GLU A 39 -7.123 -7.834 4.419 1.00 0.00 C ATOM 549 C GLU A 39 -5.635 -7.648 4.733 1.00 0.00 C ATOM 550 O GLU A 39 -5.223 -7.646 5.889 1.00 0.00 O ATOM 551 CB GLU A 39 -7.406 -9.264 3.935 1.00 0.00 C ATOM 552 CG GLU A 39 -7.149 -10.320 5.019 1.00 0.00 C ATOM 553 CD GLU A 39 -8.014 -10.063 6.255 1.00 0.00 C ATOM 554 OE1 GLU A 39 -9.254 -10.185 6.141 1.00 0.00 O ATOM 555 OE2 GLU A 39 -7.470 -9.695 7.323 1.00 0.00 O ATOM 0 H GLU A 39 -7.851 -7.333 2.515 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.686 -7.649 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.443 -9.333 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.781 -9.480 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.362 -11.312 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.096 -10.309 5.300 1.00 0.00 H new ATOM 562 N ASP A 40 -4.832 -7.447 3.689 1.00 0.00 N ATOM 563 CA ASP A 40 -3.393 -7.273 3.785 1.00 0.00 C ATOM 564 C ASP A 40 -2.977 -5.838 4.127 1.00 0.00 C ATOM 565 O ASP A 40 -1.774 -5.582 4.171 1.00 0.00 O ATOM 566 CB ASP A 40 -2.742 -7.710 2.462 1.00 0.00 C ATOM 567 CG ASP A 40 -2.705 -9.219 2.259 1.00 0.00 C ATOM 568 OD1 ASP A 40 -1.954 -9.888 3.004 1.00 0.00 O ATOM 569 OD2 ASP A 40 -3.314 -9.712 1.277 1.00 0.00 O ATOM 0 H ASP A 40 -5.178 -7.400 2.731 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.046 -7.897 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.286 -7.255 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.723 -7.324 2.425 1.00 0.00 H new ATOM 574 N ILE A 41 -3.901 -4.901 4.393 1.00 0.00 N ATOM 575 CA ILE A 41 -3.586 -3.497 4.705 1.00 0.00 C ATOM 576 C ILE A 41 -2.488 -3.330 5.767 1.00 0.00 C ATOM 577 O ILE A 41 -1.675 -2.411 5.664 1.00 0.00 O ATOM 578 CB ILE A 41 -4.874 -2.719 5.058 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.620 -1.194 5.035 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.461 -3.177 6.407 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.899 -0.351 5.149 1.00 0.00 C ATOM 0 H ILE A 41 -4.901 -5.100 4.398 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.161 -3.061 3.801 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.619 -2.943 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.950 -0.934 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.106 -0.935 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.366 -2.608 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.703 -4.239 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.730 -3.009 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.640 0.708 5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.562 -0.581 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.404 -0.581 6.087 1.00 0.00 H new ATOM 593 N PHE A 42 -2.426 -4.221 6.761 1.00 0.00 N ATOM 594 CA PHE A 42 -1.425 -4.176 7.822 1.00 0.00 C ATOM 595 C PHE A 42 -0.001 -4.250 7.261 1.00 0.00 C ATOM 596 O PHE A 42 0.923 -3.718 7.877 1.00 0.00 O ATOM 597 CB PHE A 42 -1.676 -5.329 8.796 1.00 0.00 C ATOM 598 CG PHE A 42 -2.792 -5.059 9.782 1.00 0.00 C ATOM 599 CD1 PHE A 42 -2.490 -4.414 10.994 1.00 0.00 C ATOM 600 CD2 PHE A 42 -4.119 -5.442 9.507 1.00 0.00 C ATOM 601 CE1 PHE A 42 -3.494 -4.167 11.940 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.129 -5.177 10.448 1.00 0.00 C ATOM 603 CZ PHE A 42 -4.812 -4.554 11.668 1.00 0.00 C ATOM 0 H PHE A 42 -3.078 -5.001 6.849 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.516 -3.224 8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.915 -6.228 8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.758 -5.534 9.347 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.475 -4.106 11.198 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.359 -5.937 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.253 -3.681 12.874 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.151 -5.453 10.233 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.588 -4.373 12.398 1.00 0.00 H new ATOM 613 N ASN A 43 0.184 -4.897 6.105 1.00 0.00 N ATOM 614 CA ASN A 43 1.476 -5.033 5.445 1.00 0.00 C ATOM 615 C ASN A 43 1.889 -3.687 4.870 1.00 0.00 C ATOM 616 O ASN A 43 3.061 -3.331 4.928 1.00 0.00 O ATOM 617 CB ASN A 43 1.439 -6.054 4.293 1.00 0.00 C ATOM 618 CG ASN A 43 1.213 -7.489 4.749 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.156 -8.249 4.959 1.00 0.00 O ATOM 620 ND2 ASN A 43 -0.032 -7.899 4.899 1.00 0.00 N ATOM 0 H ASN A 43 -0.577 -5.347 5.597 1.00 0.00 H new ATOM 0 HA ASN A 43 2.187 -5.384 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.647 -5.775 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.379 -6.001 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.221 -8.857 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.805 -7.258 4.721 1.00 0.00 H new ATOM 627 N LEU A 44 0.943 -2.960 4.262 1.00 0.00 N ATOM 628 CA LEU A 44 1.202 -1.652 3.671 1.00 0.00 C ATOM 629 C LEU A 44 1.584 -0.655 4.752 1.00 0.00 C ATOM 630 O LEU A 44 2.468 0.168 4.531 1.00 0.00 O ATOM 631 CB LEU A 44 -0.037 -1.101 2.944 1.00 0.00 C ATOM 632 CG LEU A 44 -0.310 -1.688 1.554 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.684 -1.184 1.098 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.753 -1.268 0.531 1.00 0.00 C ATOM 0 H LEU A 44 -0.025 -3.268 4.169 1.00 0.00 H new ATOM 0 HA LEU A 44 2.014 -1.782 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.911 -1.278 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.072 -0.021 2.847 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.282 -2.776 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.909 -1.585 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.445 -1.513 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.676 -0.095 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.518 -1.707 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.765 -0.182 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.732 -1.616 0.860 1.00 0.00 H new ATOM 646 N VAL A 45 0.891 -0.683 5.889 1.00 0.00 N ATOM 647 CA VAL A 45 1.125 0.208 7.015 1.00 0.00 C ATOM 648 C VAL A 45 2.559 -0.004 7.524 1.00 0.00 C ATOM 649 O VAL A 45 2.848 -0.936 8.271 1.00 0.00 O ATOM 650 CB VAL A 45 0.001 0.021 8.061 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.290 0.734 9.386 1.00 0.00 C ATOM 652 CG2 VAL A 45 -1.328 0.561 7.515 1.00 0.00 C ATOM 0 H VAL A 45 0.132 -1.345 6.053 1.00 0.00 H new ATOM 0 HA VAL A 45 1.070 1.259 6.733 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.055 -1.051 8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.535 0.565 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.211 0.342 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.400 1.804 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.111 0.423 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.224 1.622 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.594 0.021 6.606 1.00 0.00 H new ATOM 662 N GLY A 46 3.467 0.878 7.103 1.00 0.00 N ATOM 663 CA GLY A 46 4.877 0.893 7.450 1.00 0.00 C ATOM 664 C GLY A 46 5.816 0.933 6.248 1.00 0.00 C ATOM 665 O GLY A 46 6.994 1.221 6.447 1.00 0.00 O ATOM 0 H GLY A 46 3.217 1.642 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.075 1.759 8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.103 0.008 8.044 1.00 0.00 H new ATOM 669 N LYS A 47 5.324 0.664 5.037 1.00 0.00 N ATOM 670 CA LYS A 47 6.121 0.675 3.806 1.00 0.00 C ATOM 671 C LYS A 47 6.320 2.099 3.316 1.00 0.00 C ATOM 672 O LYS A 47 5.640 3.007 3.790 1.00 0.00 O ATOM 673 CB LYS A 47 5.421 -0.149 2.716 1.00 0.00 C ATOM 674 CG LYS A 47 5.404 -1.628 3.099 1.00 0.00 C ATOM 675 CD LYS A 47 4.924 -2.501 1.939 1.00 0.00 C ATOM 676 CE LYS A 47 4.877 -3.963 2.391 1.00 0.00 C ATOM 677 NZ LYS A 47 4.566 -4.874 1.279 1.00 0.00 N ATOM 0 H LYS A 47 4.344 0.428 4.880 1.00 0.00 H new ATOM 0 HA LYS A 47 7.094 0.234 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.401 0.210 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.936 -0.019 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.405 -1.939 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.752 -1.775 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.936 -2.178 1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.594 -2.393 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.837 -4.238 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.127 -4.077 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.544 -5.853 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.638 -4.628 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.296 -4.785 0.543 1.00 0.00 H new ATOM 691 N LYS A 48 7.219 2.313 2.359 1.00 0.00 N ATOM 692 CA LYS A 48 7.492 3.628 1.793 1.00 0.00 C ATOM 693 C LYS A 48 6.874 3.726 0.417 1.00 0.00 C ATOM 694 O LYS A 48 6.973 2.755 -0.333 1.00 0.00 O ATOM 695 CB LYS A 48 9.005 3.809 1.613 1.00 0.00 C ATOM 696 CG LYS A 48 9.379 5.281 1.797 1.00 0.00 C ATOM 697 CD LYS A 48 9.643 5.566 3.278 1.00 0.00 C ATOM 698 CE LYS A 48 11.131 5.510 3.642 1.00 0.00 C ATOM 699 NZ LYS A 48 11.809 4.267 3.207 1.00 0.00 N ATOM 0 H LYS A 48 7.784 1.568 1.951 1.00 0.00 H new ATOM 0 HA LYS A 48 7.083 4.383 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.542 3.195 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.305 3.470 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.265 5.517 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.574 5.919 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.250 6.551 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.099 4.842 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.637 6.365 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.235 5.610 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.787 4.263 3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.300 3.443 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.816 4.221 2.168 1.00 0.00 H new ATOM 713 N VAL A 49 6.246 4.850 0.071 1.00 0.00 N ATOM 714 CA VAL A 49 5.696 4.979 -1.273 1.00 0.00 C ATOM 715 C VAL A 49 6.865 5.268 -2.219 1.00 0.00 C ATOM 716 O VAL A 49 7.758 6.050 -1.873 1.00 0.00 O ATOM 717 CB VAL A 49 4.620 6.071 -1.388 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.303 5.562 -0.811 1.00 0.00 C ATOM 719 CG2 VAL A 49 4.934 7.390 -0.688 1.00 0.00 C ATOM 0 H VAL A 49 6.109 5.657 0.680 1.00 0.00 H new ATOM 0 HA VAL A 49 5.191 4.050 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 49 4.571 6.281 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.544 6.340 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.981 4.679 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.442 5.302 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.108 8.085 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.074 7.212 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.846 7.816 -1.107 1.00 0.00 H new ATOM 729 N LEU A 50 6.861 4.631 -3.392 1.00 0.00 N ATOM 730 CA LEU A 50 7.900 4.803 -4.406 1.00 0.00 C ATOM 731 C LEU A 50 7.631 6.002 -5.308 1.00 0.00 C ATOM 732 O LEU A 50 8.541 6.429 -6.013 1.00 0.00 O ATOM 733 CB LEU A 50 7.994 3.550 -5.295 1.00 0.00 C ATOM 734 CG LEU A 50 8.540 2.304 -4.583 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.550 1.130 -5.563 1.00 0.00 C ATOM 736 CD2 LEU A 50 9.964 2.514 -4.053 1.00 0.00 C ATOM 0 H LEU A 50 6.129 3.976 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 50 8.834 4.967 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.003 3.323 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.632 3.773 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 50 7.890 2.101 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.937 0.242 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.535 0.938 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.185 1.373 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.306 1.605 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.631 2.747 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.969 3.339 -3.341 1.00 0.00 H new ATOM 748 N VAL A 51 6.406 6.524 -5.305 1.00 0.00 N ATOM 749 CA VAL A 51 5.976 7.656 -6.113 1.00 0.00 C ATOM 750 C VAL A 51 4.916 8.404 -5.310 1.00 0.00 C ATOM 751 O VAL A 51 4.394 7.866 -4.327 1.00 0.00 O ATOM 752 CB VAL A 51 5.383 7.171 -7.462 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.410 6.455 -8.349 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.180 6.233 -7.272 1.00 0.00 C ATOM 0 H VAL A 51 5.660 6.154 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 51 6.821 8.305 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 51 5.061 8.086 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.933 6.141 -9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.232 7.134 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.796 5.580 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.803 5.923 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.490 5.354 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.393 6.756 -6.728 1.00 0.00 H new ATOM 764 N THR A 52 4.599 9.638 -5.692 1.00 0.00 N ATOM 765 CA THR A 52 3.570 10.386 -4.996 1.00 0.00 C ATOM 766 C THR A 52 2.231 9.722 -5.316 1.00 0.00 C ATOM 767 O THR A 52 1.983 9.266 -6.434 1.00 0.00 O ATOM 768 CB THR A 52 3.619 11.856 -5.427 1.00 0.00 C ATOM 769 OG1 THR A 52 4.825 12.401 -4.934 1.00 0.00 O ATOM 770 CG2 THR A 52 2.455 12.721 -4.911 1.00 0.00 C ATOM 0 H THR A 52 5.036 10.132 -6.470 1.00 0.00 H new ATOM 0 HA THR A 52 3.720 10.376 -3.916 1.00 0.00 H new ATOM 0 HB THR A 52 3.545 11.869 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.889 13.344 -5.195 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.576 13.744 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.511 12.318 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.452 12.714 -3.821 1.00 0.00 H new ATOM 778 N VAL A 53 1.384 9.656 -4.304 1.00 0.00 N ATOM 779 CA VAL A 53 0.048 9.103 -4.337 1.00 0.00 C ATOM 780 C VAL A 53 -0.882 10.288 -4.069 1.00 0.00 C ATOM 781 O VAL A 53 -0.496 11.254 -3.405 1.00 0.00 O ATOM 782 CB VAL A 53 -0.061 7.988 -3.285 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.460 7.406 -3.224 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.909 6.819 -3.534 1.00 0.00 C ATOM 0 H VAL A 53 1.630 10.011 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.216 8.639 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 53 0.197 8.475 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.495 6.621 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.170 8.191 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.722 6.986 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.780 6.067 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.700 6.374 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.935 7.187 -3.516 1.00 0.00 H new ATOM 794 N GLU A 54 -2.113 10.228 -4.564 1.00 0.00 N ATOM 795 CA GLU A 54 -3.102 11.281 -4.410 1.00 0.00 C ATOM 796 C GLU A 54 -4.235 10.843 -3.486 1.00 0.00 C ATOM 797 O GLU A 54 -4.362 9.667 -3.146 1.00 0.00 O ATOM 798 CB GLU A 54 -3.591 11.677 -5.804 1.00 0.00 C ATOM 799 CG GLU A 54 -2.529 12.535 -6.499 1.00 0.00 C ATOM 800 CD GLU A 54 -3.031 12.984 -7.863 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.890 13.890 -7.921 1.00 0.00 O ATOM 802 OE2 GLU A 54 -2.529 12.476 -8.891 1.00 0.00 O ATOM 0 H GLU A 54 -2.456 9.427 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.659 12.155 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.795 10.785 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.527 12.230 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.294 13.404 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.607 11.965 -6.612 1.00 0.00 H new ATOM 809 N GLU A 55 -5.053 11.799 -3.049 1.00 0.00 N ATOM 810 CA GLU A 55 -6.171 11.506 -2.167 1.00 0.00 C ATOM 811 C GLU A 55 -7.152 10.589 -2.911 1.00 0.00 C ATOM 812 O GLU A 55 -7.583 10.891 -4.030 1.00 0.00 O ATOM 813 CB GLU A 55 -6.794 12.822 -1.681 1.00 0.00 C ATOM 814 CG GLU A 55 -8.028 12.583 -0.805 1.00 0.00 C ATOM 815 CD GLU A 55 -8.630 13.894 -0.308 1.00 0.00 C ATOM 816 OE1 GLU A 55 -9.142 14.679 -1.138 1.00 0.00 O ATOM 817 OE2 GLU A 55 -8.668 14.119 0.921 1.00 0.00 O ATOM 0 H GLU A 55 -4.958 12.784 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.852 10.973 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.053 13.388 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.072 13.431 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.777 12.031 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.754 11.962 0.048 1.00 0.00 H new ATOM 824 N ASP A 56 -7.515 9.481 -2.267 1.00 0.00 N ATOM 825 CA ASP A 56 -8.417 8.425 -2.726 1.00 0.00 C ATOM 826 C ASP A 56 -7.835 7.604 -3.883 1.00 0.00 C ATOM 827 O ASP A 56 -8.538 6.797 -4.497 1.00 0.00 O ATOM 828 CB ASP A 56 -9.825 8.970 -2.985 1.00 0.00 C ATOM 829 CG ASP A 56 -10.841 7.844 -3.148 1.00 0.00 C ATOM 830 OD1 ASP A 56 -11.001 7.040 -2.207 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.564 7.823 -4.176 1.00 0.00 O ATOM 0 H ASP A 56 -7.156 9.282 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.519 7.704 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.124 9.614 -2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.817 9.587 -3.883 1.00 0.00 H new ATOM 836 N ASP A 57 -6.557 7.807 -4.227 1.00 0.00 N ATOM 837 CA ASP A 57 -5.940 7.043 -5.312 1.00 0.00 C ATOM 838 C ASP A 57 -5.834 5.578 -4.874 1.00 0.00 C ATOM 839 O ASP A 57 -5.858 5.298 -3.675 1.00 0.00 O ATOM 840 CB ASP A 57 -4.568 7.608 -5.690 1.00 0.00 C ATOM 841 CG ASP A 57 -4.356 7.448 -7.185 1.00 0.00 C ATOM 842 OD1 ASP A 57 -5.118 8.071 -7.950 1.00 0.00 O ATOM 843 OD2 ASP A 57 -3.464 6.668 -7.594 1.00 0.00 O ATOM 0 H ASP A 57 -5.941 8.483 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.562 7.117 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.506 8.660 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.783 7.087 -5.142 1.00 0.00 H new ATOM 848 N THR A 58 -5.636 4.622 -5.780 1.00 0.00 N ATOM 849 CA THR A 58 -5.563 3.200 -5.424 1.00 0.00 C ATOM 850 C THR A 58 -4.126 2.702 -5.217 1.00 0.00 C ATOM 851 O THR A 58 -3.283 2.818 -6.115 1.00 0.00 O ATOM 852 CB THR A 58 -6.324 2.408 -6.492 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.656 2.887 -6.571 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.392 0.920 -6.172 1.00 0.00 C ATOM 0 H THR A 58 -5.522 4.806 -6.777 1.00 0.00 H new ATOM 0 HA THR A 58 -6.033 3.046 -4.453 1.00 0.00 H new ATOM 0 HB THR A 58 -5.787 2.542 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.145 2.383 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.941 0.403 -6.959 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.382 0.515 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.901 0.776 -5.219 1.00 0.00 H new ATOM 862 N ILE A 59 -3.840 2.150 -4.030 1.00 0.00 N ATOM 863 CA ILE A 59 -2.515 1.630 -3.695 1.00 0.00 C ATOM 864 C ILE A 59 -2.333 0.302 -4.445 1.00 0.00 C ATOM 865 O ILE A 59 -3.294 -0.451 -4.643 1.00 0.00 O ATOM 866 CB ILE A 59 -2.358 1.457 -2.157 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.536 2.761 -1.338 1.00 0.00 C ATOM 868 CG2 ILE A 59 -0.992 0.846 -1.781 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.353 3.745 -1.353 1.00 0.00 C ATOM 0 H ILE A 59 -4.523 2.053 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.739 2.331 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.172 0.781 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.418 3.281 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.741 2.489 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.925 0.743 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.892 -0.135 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.193 1.498 -2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.597 4.617 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.468 3.256 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.155 4.061 -2.377 1.00 0.00 H new ATOM 881 N MET A 60 -1.100 0.010 -4.858 1.00 0.00 N ATOM 882 CA MET A 60 -0.689 -1.192 -5.570 1.00 0.00 C ATOM 883 C MET A 60 0.666 -1.612 -5.007 1.00 0.00 C ATOM 884 O MET A 60 1.388 -0.782 -4.450 1.00 0.00 O ATOM 885 CB MET A 60 -0.567 -0.906 -7.073 1.00 0.00 C ATOM 886 CG MET A 60 -1.901 -0.913 -7.806 1.00 0.00 C ATOM 887 SD MET A 60 -2.558 -2.587 -7.993 1.00 0.00 S ATOM 888 CE MET A 60 -3.149 -2.462 -9.689 1.00 0.00 C ATOM 0 H MET A 60 -0.319 0.645 -4.693 1.00 0.00 H new ATOM 0 HA MET A 60 -1.426 -1.984 -5.439 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.091 0.065 -7.212 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.089 -1.650 -7.524 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.618 -0.300 -7.260 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.777 -0.459 -8.789 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.594 -3.410 -9.990 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.897 -1.672 -9.756 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.314 -2.228 -10.349 1.00 0.00 H new ATOM 898 N GLU A 61 1.041 -2.885 -5.171 1.00 0.00 N ATOM 899 CA GLU A 61 2.316 -3.382 -4.660 1.00 0.00 C ATOM 900 C GLU A 61 3.503 -2.690 -5.329 1.00 0.00 C ATOM 901 O GLU A 61 4.534 -2.474 -4.696 1.00 0.00 O ATOM 902 CB GLU A 61 2.386 -4.914 -4.804 1.00 0.00 C ATOM 903 CG GLU A 61 2.885 -5.465 -6.156 1.00 0.00 C ATOM 904 CD GLU A 61 4.403 -5.414 -6.356 1.00 0.00 C ATOM 905 OE1 GLU A 61 5.161 -5.728 -5.407 1.00 0.00 O ATOM 906 OE2 GLU A 61 4.883 -5.058 -7.453 1.00 0.00 O ATOM 0 H GLU A 61 0.479 -3.586 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 61 2.377 -3.139 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.037 -5.299 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.391 -5.318 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.555 -6.499 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.409 -4.902 -6.959 1.00 0.00 H new ATOM 913 N GLU A 62 3.350 -2.314 -6.595 1.00 0.00 N ATOM 914 CA GLU A 62 4.398 -1.661 -7.370 1.00 0.00 C ATOM 915 C GLU A 62 4.661 -0.213 -6.947 1.00 0.00 C ATOM 916 O GLU A 62 5.580 0.418 -7.465 1.00 0.00 O ATOM 917 CB GLU A 62 4.016 -1.743 -8.848 1.00 0.00 C ATOM 918 CG GLU A 62 2.747 -0.940 -9.158 1.00 0.00 C ATOM 919 CD GLU A 62 2.135 -1.362 -10.485 1.00 0.00 C ATOM 920 OE1 GLU A 62 1.374 -2.356 -10.497 1.00 0.00 O ATOM 921 OE2 GLU A 62 2.386 -0.670 -11.501 1.00 0.00 O ATOM 0 H GLU A 62 2.485 -2.456 -7.117 1.00 0.00 H new ATOM 0 HA GLU A 62 5.336 -2.184 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.839 -1.369 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.862 -2.786 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.020 -1.082 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.985 0.123 -9.187 1.00 0.00 H new ATOM 928 N LEU A 63 3.864 0.328 -6.023 1.00 0.00 N ATOM 929 CA LEU A 63 3.990 1.694 -5.529 1.00 0.00 C ATOM 930 C LEU A 63 4.629 1.719 -4.141 1.00 0.00 C ATOM 931 O LEU A 63 4.597 2.775 -3.504 1.00 0.00 O ATOM 932 CB LEU A 63 2.614 2.391 -5.497 1.00 0.00 C ATOM 933 CG LEU A 63 1.806 2.343 -6.808 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.444 3.015 -6.608 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.516 2.986 -7.995 1.00 0.00 C ATOM 0 H LEU A 63 3.097 -0.186 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 63 4.640 2.238 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.016 1.936 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.763 3.435 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 63 1.687 1.287 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.121 2.977 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.108 2.492 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.591 4.055 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.884 2.913 -8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.713 4.035 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.459 2.470 -8.178 1.00 0.00 H new ATOM 947 N VAL A 64 5.161 0.598 -3.633 1.00 0.00 N ATOM 948 CA VAL A 64 5.789 0.528 -2.314 1.00 0.00 C ATOM 949 C VAL A 64 7.153 -0.174 -2.355 1.00 0.00 C ATOM 950 O VAL A 64 7.435 -0.975 -3.253 1.00 0.00 O ATOM 951 CB VAL A 64 4.831 -0.074 -1.261 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.779 0.942 -0.804 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.095 -1.337 -1.728 1.00 0.00 C ATOM 0 H VAL A 64 5.165 -0.291 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 64 5.994 1.551 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 64 5.487 -0.350 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.125 0.481 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.275 1.806 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.187 1.264 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.444 -1.695 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.496 -1.104 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.822 -2.110 -1.977 1.00 0.00 H new ATOM 963 N ASP A 65 8.010 0.146 -1.379 1.00 0.00 N ATOM 964 CA ASP A 65 9.363 -0.389 -1.224 1.00 0.00 C ATOM 965 C ASP A 65 9.408 -1.892 -1.004 1.00 0.00 C ATOM 966 O ASP A 65 8.392 -2.547 -0.754 1.00 0.00 O ATOM 967 CB ASP A 65 10.124 0.262 -0.057 1.00 0.00 C ATOM 968 CG ASP A 65 9.723 -0.224 1.347 1.00 0.00 C ATOM 969 OD1 ASP A 65 8.532 -0.085 1.690 1.00 0.00 O ATOM 970 OD2 ASP A 65 10.615 -0.660 2.123 1.00 0.00 O ATOM 0 H ASP A 65 7.767 0.813 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 65 9.840 -0.151 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.190 0.081 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.975 1.341 -0.106 1.00 0.00 H new ATOM 975 N ASN A 66 10.617 -2.449 -1.115 1.00 0.00 N ATOM 976 CA ASN A 66 10.840 -3.864 -0.912 1.00 0.00 C ATOM 977 C ASN A 66 11.043 -4.062 0.577 1.00 0.00 C ATOM 978 O ASN A 66 12.160 -4.111 1.094 1.00 0.00 O ATOM 979 CB ASN A 66 11.890 -4.458 -1.853 1.00 0.00 C ATOM 980 CG ASN A 66 13.367 -4.177 -1.619 1.00 0.00 C ATOM 981 OD1 ASN A 66 13.918 -3.288 -2.261 1.00 0.00 O ATOM 982 ND2 ASN A 66 14.078 -4.989 -0.859 1.00 0.00 N ATOM 0 H ASN A 66 11.460 -1.924 -1.348 1.00 0.00 H new ATOM 0 HA ASN A 66 9.976 -4.460 -1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.760 -5.540 -1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.651 -4.119 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.091 -4.879 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.615 -5.726 -0.328 1.00 0.00 H new ATOM 989 N HIS A 67 9.909 -4.177 1.259 1.00 0.00 N ATOM 990 CA HIS A 67 9.792 -4.366 2.695 1.00 0.00 C ATOM 991 C HIS A 67 10.408 -5.691 3.168 1.00 0.00 C ATOM 992 O HIS A 67 10.542 -5.915 4.373 1.00 0.00 O ATOM 993 CB HIS A 67 8.307 -4.250 3.052 1.00 0.00 C ATOM 994 CG HIS A 67 8.014 -3.727 4.437 1.00 0.00 C ATOM 995 ND1 HIS A 67 6.952 -4.114 5.226 1.00 0.00 N ATOM 996 CD2 HIS A 67 8.601 -2.645 5.038 1.00 0.00 C ATOM 997 CE1 HIS A 67 6.896 -3.285 6.280 1.00 0.00 C ATOM 998 NE2 HIS A 67 7.924 -2.420 6.241 1.00 0.00 N ATOM 0 H HIS A 67 9.000 -4.138 0.798 1.00 0.00 H new ATOM 0 HA HIS A 67 10.362 -3.598 3.218 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.826 -3.595 2.325 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.848 -5.233 2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.432 -2.072 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.136 -3.309 7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.165 -1.731 6.953 1.00 0.00 H new ATOM 1006 N GLY A 68 10.782 -6.574 2.238 1.00 0.00 N ATOM 1007 CA GLY A 68 11.392 -7.863 2.480 1.00 0.00 C ATOM 1008 C GLY A 68 12.376 -8.194 1.355 1.00 0.00 C ATOM 1009 O GLY A 68 12.806 -7.314 0.598 1.00 0.00 O ATOM 0 H GLY A 68 10.655 -6.388 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.911 -7.855 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.623 -8.633 2.541 1.00 0.00 H new ATOM 1013 N LYS A 69 12.805 -9.455 1.318 1.00 0.00 N ATOM 1014 CA LYS A 69 13.734 -10.041 0.382 1.00 0.00 C ATOM 1015 C LYS A 69 12.941 -10.565 -0.799 1.00 0.00 C ATOM 1016 O LYS A 69 12.185 -11.532 -0.664 1.00 0.00 O ATOM 1017 CB LYS A 69 14.473 -11.197 1.081 1.00 0.00 C ATOM 1018 CG LYS A 69 15.432 -11.895 0.108 1.00 0.00 C ATOM 1019 CD LYS A 69 15.950 -13.223 0.662 1.00 0.00 C ATOM 1020 CE LYS A 69 16.760 -13.997 -0.387 1.00 0.00 C ATOM 1021 NZ LYS A 69 17.792 -13.166 -1.031 1.00 0.00 N ATOM 0 H LYS A 69 12.479 -10.139 2.001 1.00 0.00 H new ATOM 0 HA LYS A 69 14.464 -9.308 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.030 -10.815 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.751 -11.917 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.921 -12.072 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.275 -11.237 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.573 -13.035 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.109 -13.832 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.234 -14.856 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.084 -14.386 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.438 -13.774 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.338 -12.483 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.330 -12.654 -0.303 1.00 0.00 H new ATOM 1035 N LYS A 70 13.090 -9.936 -1.956 1.00 0.00 N ATOM 1036 CA LYS A 70 12.412 -10.353 -3.175 1.00 0.00 C ATOM 1037 C LYS A 70 13.436 -10.379 -4.308 1.00 0.00 C ATOM 1038 O LYS A 70 14.622 -10.132 -4.084 1.00 0.00 O ATOM 1039 CB LYS A 70 11.191 -9.461 -3.480 1.00 0.00 C ATOM 1040 CG LYS A 70 11.539 -7.967 -3.545 1.00 0.00 C ATOM 1041 CD LYS A 70 10.428 -7.111 -4.175 1.00 0.00 C ATOM 1042 CE LYS A 70 10.421 -7.033 -5.708 1.00 0.00 C ATOM 1043 NZ LYS A 70 11.701 -6.540 -6.264 1.00 0.00 N ATOM 0 H LYS A 70 13.688 -9.118 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 70 12.004 -11.357 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.752 -9.768 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.433 -9.618 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.741 -7.604 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.456 -7.839 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.465 -7.504 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.510 -6.098 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.210 -8.021 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.613 -6.376 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.513 -5.773 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.300 -6.182 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.191 -7.318 -6.750 1.00 0.00 H new ATOM 1057 N ILE A 71 13.002 -10.695 -5.519 1.00 0.00 N ATOM 1058 CA ILE A 71 13.822 -10.750 -6.721 1.00 0.00 C ATOM 1059 C ILE A 71 13.247 -9.680 -7.663 1.00 0.00 C ATOM 1060 O ILE A 71 12.206 -9.077 -7.388 1.00 0.00 O ATOM 1061 CB ILE A 71 13.827 -12.198 -7.287 1.00 0.00 C ATOM 1062 CG1 ILE A 71 14.314 -13.248 -6.254 1.00 0.00 C ATOM 1063 CG2 ILE A 71 14.664 -12.354 -8.574 1.00 0.00 C ATOM 1064 CD1 ILE A 71 15.785 -13.117 -5.832 1.00 0.00 C ATOM 0 H ILE A 71 12.026 -10.930 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 71 14.875 -10.527 -6.550 1.00 0.00 H new ATOM 0 HB ILE A 71 12.781 -12.386 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.689 -13.175 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.160 -14.243 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.622 -13.389 -8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.263 -11.702 -9.350 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.699 -12.081 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.027 -13.896 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.426 -13.223 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 71 15.948 -12.139 -5.380 1.00 0.00 H new ATOM 1076 N LYS A 72 13.949 -9.381 -8.756 1.00 0.00 N ATOM 1077 CA LYS A 72 13.541 -8.413 -9.771 1.00 0.00 C ATOM 1078 C LYS A 72 12.213 -8.888 -10.374 1.00 0.00 C ATOM 1079 O LYS A 72 12.206 -9.913 -11.060 1.00 0.00 O ATOM 1080 CB LYS A 72 14.652 -8.250 -10.835 1.00 0.00 C ATOM 1081 CG LYS A 72 15.347 -9.559 -11.267 1.00 0.00 C ATOM 1082 CD LYS A 72 16.292 -9.347 -12.450 1.00 0.00 C ATOM 1083 CE LYS A 72 16.859 -10.705 -12.873 1.00 0.00 C ATOM 1084 NZ LYS A 72 17.729 -10.602 -14.058 1.00 0.00 N ATOM 0 H LYS A 72 14.845 -9.820 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 72 13.391 -7.427 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.221 -7.778 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.408 -7.568 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.907 -9.966 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.592 -10.298 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.760 -8.884 -13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.100 -8.670 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.424 -11.134 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.038 -11.389 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.089 -11.545 -14.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.184 -10.217 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.528 -9.970 -13.848 1.00 0.00 H new ATOM 1098 N SER A 73 11.097 -8.217 -10.090 1.00 0.00 N ATOM 1099 CA SER A 73 9.779 -8.573 -10.600 1.00 0.00 C ATOM 1100 C SER A 73 8.886 -7.335 -10.623 1.00 0.00 C ATOM 1101 O SER A 73 8.958 -6.475 -9.743 1.00 0.00 O ATOM 1102 CB SER A 73 9.137 -9.637 -9.697 1.00 0.00 C ATOM 1103 OG SER A 73 7.930 -10.147 -10.255 1.00 0.00 O ATOM 0 H SER A 73 11.087 -7.395 -9.487 1.00 0.00 H new ATOM 0 HA SER A 73 9.887 -8.970 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.840 -10.455 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.931 -9.206 -8.717 1.00 0.00 H new ATOM 0 HG SER A 73 7.551 -10.822 -9.654 1.00 0.00 H new ATOM 1109 N SER A 74 7.992 -7.296 -11.603 1.00 0.00 N ATOM 1110 CA SER A 74 7.024 -6.241 -11.841 1.00 0.00 C ATOM 1111 C SER A 74 5.689 -6.479 -11.125 1.00 0.00 C ATOM 1112 O SER A 74 4.813 -5.621 -11.213 1.00 0.00 O ATOM 1113 CB SER A 74 6.830 -6.147 -13.358 1.00 0.00 C ATOM 1114 OG SER A 74 6.854 -7.434 -13.965 1.00 0.00 O ATOM 0 H SER A 74 7.922 -8.045 -12.291 1.00 0.00 H new ATOM 0 HA SER A 74 7.401 -5.304 -11.431 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.880 -5.658 -13.575 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.615 -5.525 -13.789 1.00 0.00 H new ATOM 0 HG SER A 74 6.726 -7.342 -14.932 1.00 0.00 H new ATOM 1120 N GLY A 75 5.528 -7.615 -10.424 1.00 0.00 N ATOM 1121 CA GLY A 75 4.300 -7.975 -9.711 1.00 0.00 C ATOM 1122 C GLY A 75 3.069 -7.712 -10.591 1.00 0.00 C ATOM 1123 O GLY A 75 2.235 -6.891 -10.200 1.00 0.00 O ATOM 0 H GLY A 75 6.263 -8.317 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.333 -9.027 -9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.225 -7.398 -8.789 1.00 0.00 H new ATOM 1127 N PRO A 76 2.931 -8.377 -11.756 1.00 0.00 N ATOM 1128 CA PRO A 76 1.819 -8.157 -12.675 1.00 0.00 C ATOM 1129 C PRO A 76 0.435 -8.378 -12.068 1.00 0.00 C ATOM 1130 O PRO A 76 -0.491 -7.642 -12.411 1.00 0.00 O ATOM 1131 CB PRO A 76 2.082 -9.065 -13.882 1.00 0.00 C ATOM 1132 CG PRO A 76 3.016 -10.143 -13.335 1.00 0.00 C ATOM 1133 CD PRO A 76 3.837 -9.375 -12.303 1.00 0.00 C ATOM 0 HA PRO A 76 1.787 -7.105 -12.959 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.158 -9.495 -14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.544 -8.515 -14.702 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.464 -10.967 -12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.644 -10.571 -14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.208 -10.039 -11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.707 -8.906 -12.763 1.00 0.00 H new ATOM 1141 N SER A 77 0.265 -9.345 -11.174 1.00 0.00 N ATOM 1142 CA SER A 77 -1.019 -9.630 -10.553 1.00 0.00 C ATOM 1143 C SER A 77 -0.791 -10.273 -9.182 1.00 0.00 C ATOM 1144 O SER A 77 0.340 -10.267 -8.683 1.00 0.00 O ATOM 1145 CB SER A 77 -1.869 -10.462 -11.531 1.00 0.00 C ATOM 1146 OG SER A 77 -1.137 -11.529 -12.117 1.00 0.00 O ATOM 0 H SER A 77 1.019 -9.955 -10.859 1.00 0.00 H new ATOM 0 HA SER A 77 -1.589 -8.722 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.733 -10.865 -11.003 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.251 -9.812 -12.318 1.00 0.00 H new ATOM 0 HG SER A 77 -1.719 -12.028 -12.728 1.00 0.00 H new ATOM 1152 N SER A 78 -1.859 -10.738 -8.540 1.00 0.00 N ATOM 1153 CA SER A 78 -1.840 -11.380 -7.237 1.00 0.00 C ATOM 1154 C SER A 78 -3.078 -12.274 -7.182 1.00 0.00 C ATOM 1155 O SER A 78 -4.164 -11.806 -7.551 1.00 0.00 O ATOM 1156 CB SER A 78 -1.871 -10.346 -6.091 1.00 0.00 C ATOM 1157 OG SER A 78 -1.646 -9.002 -6.507 1.00 0.00 O ATOM 0 H SER A 78 -2.798 -10.673 -8.933 1.00 0.00 H new ATOM 0 HA SER A 78 -0.922 -11.953 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.839 -10.402 -5.593 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.116 -10.617 -5.353 1.00 0.00 H new ATOM 0 HG SER A 78 -1.682 -8.408 -5.728 1.00 0.00 H new ATOM 1163 N GLY A 79 -2.937 -13.517 -6.722 1.00 0.00 N ATOM 1164 CA GLY A 79 -4.045 -14.460 -6.630 1.00 0.00 C ATOM 1165 C GLY A 79 -4.611 -14.744 -8.003 1.00 0.00 C ATOM 1166 O GLY A 79 -3.816 -15.091 -8.909 1.00 0.00 O ATOM 0 H GLY A 79 -2.046 -13.897 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.704 -15.388 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.824 -14.053 -5.985 1.00 0.00 H new TER 1170 GLY A 79