USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 867 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 32 ASN : amide:sc= -1.2 K(o=-2,f=-3.3) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.05 X(o=-2,f=-2.3!) USER MOD Set 1.3: A 64 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc=-0.00919 (180deg=-0.2) USER MOD Single : A 2 SER OG : rot 180:sc= -0.378 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 50 LYS NZ :NH3+ 130:sc= -0.168 (180deg=-0.737) USER MOD Single : A 53 GLN : amide:sc= -2.04 K(o=-2,f=-2.8) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -170:sc= 0 (180deg=-0.0284) USER MOD Single : A 74 SER OG : rot -141:sc= 0.285 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.564 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.576 K(o=-0.58,f=-3.9!) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= 0.805 (180deg=0.271) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.17) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 109 HIS : no HD1:sc= -0.0365 K(o=-0.037,f=-0.89) USER MOD Single : A 110 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.017) USER MOD Single : A 111 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.451 0.131 -3.772 1.00 0.00 N ATOM 2 CA MET A 1 1.796 0.382 -2.377 1.00 0.00 C ATOM 3 C MET A 1 2.870 1.460 -2.269 1.00 0.00 C ATOM 4 O MET A 1 3.958 1.324 -2.828 1.00 0.00 O ATOM 5 CB MET A 1 2.280 -0.906 -1.709 1.00 0.00 C ATOM 6 CG MET A 1 1.220 -1.993 -1.645 1.00 0.00 C ATOM 7 SD MET A 1 0.816 -2.470 0.046 1.00 0.00 S ATOM 8 CE MET A 1 0.312 -4.172 -0.194 1.00 0.00 C ATOM 0 H1 MET A 1 0.505 -0.298 -3.824 1.00 0.00 H new ATOM 0 H2 MET A 1 1.453 1.029 -4.297 1.00 0.00 H new ATOM 0 H3 MET A 1 2.149 -0.517 -4.191 1.00 0.00 H new ATOM 0 HA MET A 1 0.900 0.733 -1.864 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.145 -1.285 -2.253 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.615 -0.677 -0.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.317 -1.644 -2.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.570 -2.869 -2.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.031 -4.607 0.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.541 -4.207 -0.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.139 -4.740 -0.621 1.00 0.00 H new ATOM 18 N SER A 2 2.557 2.530 -1.545 1.00 0.00 N ATOM 19 CA SER A 2 3.495 3.633 -1.367 1.00 0.00 C ATOM 20 C SER A 2 2.885 4.730 -0.499 1.00 0.00 C ATOM 21 O SER A 2 1.923 5.388 -0.895 1.00 0.00 O ATOM 22 CB SER A 2 3.902 4.209 -2.725 1.00 0.00 C ATOM 23 OG SER A 2 2.953 3.877 -3.724 1.00 0.00 O ATOM 0 H SER A 2 1.662 2.657 -1.072 1.00 0.00 H new ATOM 0 HA SER A 2 4.381 3.246 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.993 5.293 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.882 3.825 -3.008 1.00 0.00 H new ATOM 0 HG SER A 2 3.235 4.258 -4.582 1.00 0.00 H new ATOM 29 N VAL A 3 3.452 4.920 0.688 1.00 0.00 N ATOM 30 CA VAL A 3 2.967 5.936 1.614 1.00 0.00 C ATOM 31 C VAL A 3 2.805 7.282 0.916 1.00 0.00 C ATOM 32 O VAL A 3 1.957 8.090 1.293 1.00 0.00 O ATOM 33 CB VAL A 3 3.917 6.103 2.814 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.481 7.274 3.682 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.979 4.819 3.627 1.00 0.00 C ATOM 0 H VAL A 3 4.248 4.383 1.031 1.00 0.00 H new ATOM 0 HA VAL A 3 1.996 5.597 1.975 1.00 0.00 H new ATOM 0 HB VAL A 3 4.917 6.315 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.164 7.376 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.494 8.190 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.472 7.096 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.655 4.955 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.983 4.573 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.343 4.007 2.998 1.00 0.00 H new ATOM 45 N GLU A 4 3.626 7.516 -0.104 1.00 0.00 N ATOM 46 CA GLU A 4 3.574 8.765 -0.854 1.00 0.00 C ATOM 47 C GLU A 4 2.255 8.890 -1.612 1.00 0.00 C ATOM 48 O GLU A 4 1.644 9.959 -1.649 1.00 0.00 O ATOM 49 CB GLU A 4 4.747 8.848 -1.833 1.00 0.00 C ATOM 50 CG GLU A 4 5.849 9.793 -1.384 1.00 0.00 C ATOM 51 CD GLU A 4 6.185 9.641 0.086 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.243 8.488 0.565 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.390 10.673 0.759 1.00 0.00 O ATOM 0 H GLU A 4 4.334 6.857 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 4 3.645 9.588 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.167 7.851 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.376 9.172 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.744 9.610 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.543 10.821 -1.578 1.00 0.00 H new ATOM 60 N THR A 5 1.821 7.789 -2.218 1.00 0.00 N ATOM 61 CA THR A 5 0.577 7.774 -2.977 1.00 0.00 C ATOM 62 C THR A 5 -0.625 7.996 -2.066 1.00 0.00 C ATOM 63 O THR A 5 -1.738 8.234 -2.538 1.00 0.00 O ATOM 64 CB THR A 5 0.395 6.444 -3.732 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.443 6.641 -4.876 1.00 0.00 O ATOM 66 CG2 THR A 5 -0.215 5.386 -2.826 1.00 0.00 C ATOM 0 H THR A 5 2.313 6.896 -2.198 1.00 0.00 H new ATOM 0 HA THR A 5 0.638 8.588 -3.699 1.00 0.00 H new ATOM 0 HB THR A 5 1.377 6.099 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.553 5.791 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.334 4.456 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.440 5.217 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.189 5.726 -2.475 1.00 0.00 H new ATOM 74 N ILE A 6 -0.395 7.918 -0.760 1.00 0.00 N ATOM 75 CA ILE A 6 -1.459 8.112 0.216 1.00 0.00 C ATOM 76 C ILE A 6 -1.686 9.595 0.495 1.00 0.00 C ATOM 77 O ILE A 6 -2.801 10.099 0.357 1.00 0.00 O ATOM 78 CB ILE A 6 -1.146 7.395 1.542 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.420 6.075 1.273 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.425 7.151 2.328 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.203 5.121 0.399 1.00 0.00 C ATOM 0 H ILE A 6 0.520 7.722 -0.353 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.363 7.682 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.493 8.033 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.538 6.287 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.203 5.589 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.186 6.643 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.906 8.105 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.101 6.530 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.627 4.207 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.150 4.879 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.397 5.588 -0.567 1.00 0.00 H new ATOM 93 N ILE A 7 -0.621 10.287 0.885 1.00 0.00 N ATOM 94 CA ILE A 7 -0.704 11.712 1.180 1.00 0.00 C ATOM 95 C ILE A 7 -1.167 12.500 -0.041 1.00 0.00 C ATOM 96 O ILE A 7 -1.996 13.403 0.069 1.00 0.00 O ATOM 97 CB ILE A 7 0.653 12.269 1.652 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.022 11.682 3.016 1.00 0.00 C ATOM 99 CG2 ILE A 7 0.608 13.788 1.717 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.012 11.987 4.099 1.00 0.00 C ATOM 0 H ILE A 7 0.309 9.884 1.004 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.434 11.827 1.982 1.00 0.00 H new ATOM 0 HB ILE A 7 1.419 11.979 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.125 10.601 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.995 12.070 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.574 14.167 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.385 14.188 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.167 14.099 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.339 11.540 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.075 13.067 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.957 11.575 3.819 1.00 0.00 H new ATOM 112 N GLU A 8 -0.626 12.151 -1.204 1.00 0.00 N ATOM 113 CA GLU A 8 -0.985 12.825 -2.446 1.00 0.00 C ATOM 114 C GLU A 8 -2.500 12.957 -2.575 1.00 0.00 C ATOM 115 O GLU A 8 -3.015 14.030 -2.892 1.00 0.00 O ATOM 116 CB GLU A 8 -0.425 12.062 -3.648 1.00 0.00 C ATOM 117 CG GLU A 8 0.189 12.961 -4.708 1.00 0.00 C ATOM 118 CD GLU A 8 -0.784 14.004 -5.222 1.00 0.00 C ATOM 119 OE1 GLU A 8 -0.795 15.125 -4.672 1.00 0.00 O ATOM 120 OE2 GLU A 8 -1.533 13.700 -6.173 1.00 0.00 O ATOM 0 H GLU A 8 0.062 11.406 -1.312 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.550 13.824 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.330 11.357 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.225 11.476 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.065 13.460 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.535 12.350 -5.542 1.00 0.00 H new ATOM 127 N ARG A 9 -3.207 11.860 -2.327 1.00 0.00 N ATOM 128 CA ARG A 9 -4.662 11.852 -2.417 1.00 0.00 C ATOM 129 C ARG A 9 -5.274 12.830 -1.419 1.00 0.00 C ATOM 130 O ARG A 9 -6.316 13.430 -1.682 1.00 0.00 O ATOM 131 CB ARG A 9 -5.202 10.443 -2.164 1.00 0.00 C ATOM 132 CG ARG A 9 -4.460 9.360 -2.929 1.00 0.00 C ATOM 133 CD ARG A 9 -5.410 8.524 -3.773 1.00 0.00 C ATOM 134 NE ARG A 9 -5.421 8.952 -5.170 1.00 0.00 N ATOM 135 CZ ARG A 9 -4.432 8.706 -6.022 1.00 0.00 C ATOM 136 NH1 ARG A 9 -3.359 8.037 -5.621 1.00 0.00 N ATOM 137 NH2 ARG A 9 -4.515 9.127 -7.277 1.00 0.00 N ATOM 0 H ARG A 9 -2.796 10.965 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.941 12.165 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.144 10.227 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.256 10.412 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.707 9.817 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.931 8.715 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.117 7.475 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.418 8.596 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.233 9.468 -5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.292 7.710 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.601 7.849 -6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.339 9.641 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.755 8.937 -7.930 1.00 0.00 H new ATOM 151 N ILE A 10 -4.619 12.984 -0.273 1.00 0.00 N ATOM 152 CA ILE A 10 -5.099 13.890 0.764 1.00 0.00 C ATOM 153 C ILE A 10 -4.936 15.346 0.341 1.00 0.00 C ATOM 154 O ILE A 10 -5.836 16.164 0.530 1.00 0.00 O ATOM 155 CB ILE A 10 -4.354 13.667 2.094 1.00 0.00 C ATOM 156 CG1 ILE A 10 -4.641 12.265 2.635 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.757 14.725 3.110 1.00 0.00 C ATOM 158 CD1 ILE A 10 -3.736 11.862 3.779 1.00 0.00 C ATOM 0 H ILE A 10 -3.756 12.494 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.157 13.673 0.908 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.283 13.754 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.678 12.218 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.534 11.543 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.223 14.554 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.507 15.713 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.830 14.666 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.996 10.857 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.699 11.876 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.860 12.562 4.605 1.00 0.00 H new ATOM 170 N LYS A 11 -3.781 15.663 -0.235 1.00 0.00 N ATOM 171 CA LYS A 11 -3.499 17.020 -0.689 1.00 0.00 C ATOM 172 C LYS A 11 -4.320 17.359 -1.929 1.00 0.00 C ATOM 173 O LYS A 11 -4.857 18.460 -2.047 1.00 0.00 O ATOM 174 CB LYS A 11 -2.008 17.179 -0.991 1.00 0.00 C ATOM 175 CG LYS A 11 -1.112 16.354 -0.084 1.00 0.00 C ATOM 176 CD LYS A 11 0.304 16.906 -0.047 1.00 0.00 C ATOM 177 CE LYS A 11 0.938 16.905 -1.429 1.00 0.00 C ATOM 178 NZ LYS A 11 2.344 16.414 -1.394 1.00 0.00 N ATOM 0 H LYS A 11 -3.025 14.998 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.776 17.709 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.823 16.894 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.737 18.231 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.525 16.342 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.092 15.321 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.289 17.922 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.911 16.309 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.350 16.276 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.916 17.915 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.741 16.429 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.911 17.029 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.363 15.441 -1.026 1.00 0.00 H new ATOM 192 N ALA A 12 -4.413 16.407 -2.851 1.00 0.00 N ATOM 193 CA ALA A 12 -5.170 16.604 -4.080 1.00 0.00 C ATOM 194 C ALA A 12 -6.653 16.804 -3.786 1.00 0.00 C ATOM 195 O ALA A 12 -7.352 17.504 -4.518 1.00 0.00 O ATOM 196 CB ALA A 12 -4.971 15.423 -5.019 1.00 0.00 C ATOM 0 H ALA A 12 -3.973 15.491 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.798 17.506 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.543 15.584 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.913 15.328 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.314 14.510 -4.533 1.00 0.00 H new ATOM 202 N ARG A 13 -7.126 16.185 -2.709 1.00 0.00 N ATOM 203 CA ARG A 13 -8.526 16.294 -2.319 1.00 0.00 C ATOM 204 C ARG A 13 -8.782 17.598 -1.569 1.00 0.00 C ATOM 205 O ARG A 13 -9.647 18.387 -1.950 1.00 0.00 O ATOM 206 CB ARG A 13 -8.929 15.104 -1.446 1.00 0.00 C ATOM 207 CG ARG A 13 -9.124 13.815 -2.227 1.00 0.00 C ATOM 208 CD ARG A 13 -10.486 13.773 -2.902 1.00 0.00 C ATOM 209 NE ARG A 13 -11.578 13.777 -1.932 1.00 0.00 N ATOM 210 CZ ARG A 13 -12.855 13.621 -2.263 1.00 0.00 C ATOM 211 NH1 ARG A 13 -13.198 13.450 -3.532 1.00 0.00 N ATOM 212 NH2 ARG A 13 -13.791 13.636 -1.323 1.00 0.00 N ATOM 0 H ARG A 13 -6.560 15.603 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.130 16.292 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.164 14.946 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.854 15.345 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.341 13.722 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.023 12.963 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.588 14.631 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.556 12.880 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.348 13.907 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.481 13.438 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.179 13.330 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.530 13.767 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.771 13.516 -1.578 1.00 0.00 H new ATOM 226 N VAL A 14 -8.023 17.818 -0.499 1.00 0.00 N ATOM 227 CA VAL A 14 -8.167 19.026 0.304 1.00 0.00 C ATOM 228 C VAL A 14 -8.236 20.268 -0.578 1.00 0.00 C ATOM 229 O VAL A 14 -9.088 21.134 -0.384 1.00 0.00 O ATOM 230 CB VAL A 14 -7.001 19.181 1.299 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.133 18.178 2.435 1.00 0.00 C ATOM 232 CG2 VAL A 14 -5.668 19.018 0.586 1.00 0.00 C ATOM 0 H VAL A 14 -7.303 17.175 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.099 18.927 0.860 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.039 20.184 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.301 18.302 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.072 18.346 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.120 17.166 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.855 19.131 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.617 18.028 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.575 19.778 -0.190 1.00 0.00 H new ATOM 242 N GLY A 15 -7.331 20.349 -1.549 1.00 0.00 N ATOM 243 CA GLY A 15 -7.306 21.488 -2.447 1.00 0.00 C ATOM 244 C GLY A 15 -8.660 21.764 -3.071 1.00 0.00 C ATOM 245 O GLY A 15 -8.979 22.907 -3.397 1.00 0.00 O ATOM 0 H GLY A 15 -6.615 19.646 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.975 22.371 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.575 21.309 -3.236 1.00 0.00 H new ATOM 249 N ALA A 16 -9.458 20.715 -3.238 1.00 0.00 N ATOM 250 CA ALA A 16 -10.784 20.850 -3.827 1.00 0.00 C ATOM 251 C ALA A 16 -11.863 20.879 -2.749 1.00 0.00 C ATOM 252 O ALA A 16 -12.892 21.537 -2.904 1.00 0.00 O ATOM 253 CB ALA A 16 -11.045 19.715 -4.806 1.00 0.00 C ATOM 0 H ALA A 16 -9.209 19.762 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.820 21.796 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.039 19.829 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.299 19.741 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.984 18.761 -4.282 1.00 0.00 H new ATOM 259 N VAL A 17 -11.621 20.162 -1.657 1.00 0.00 N ATOM 260 CA VAL A 17 -12.572 20.106 -0.553 1.00 0.00 C ATOM 261 C VAL A 17 -12.844 21.497 0.009 1.00 0.00 C ATOM 262 O VAL A 17 -12.017 22.401 -0.117 1.00 0.00 O ATOM 263 CB VAL A 17 -12.062 19.198 0.582 1.00 0.00 C ATOM 264 CG1 VAL A 17 -13.141 19.002 1.635 1.00 0.00 C ATOM 265 CG2 VAL A 17 -11.599 17.860 0.025 1.00 0.00 C ATOM 0 H VAL A 17 -10.774 19.612 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.497 19.691 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.209 19.683 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.762 18.358 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.420 19.969 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.015 18.539 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.242 17.231 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.432 17.367 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.791 18.023 -0.688 1.00 0.00 H new ATOM 275 N ASP A 18 -14.007 21.662 0.628 1.00 0.00 N ATOM 276 CA ASP A 18 -14.389 22.943 1.211 1.00 0.00 C ATOM 277 C ASP A 18 -14.153 22.946 2.718 1.00 0.00 C ATOM 278 O ASP A 18 -14.091 21.900 3.364 1.00 0.00 O ATOM 279 CB ASP A 18 -15.858 23.247 0.911 1.00 0.00 C ATOM 280 CG ASP A 18 -16.026 24.429 -0.022 1.00 0.00 C ATOM 281 OD1 ASP A 18 -15.194 24.583 -0.941 1.00 0.00 O ATOM 282 OD2 ASP A 18 -16.989 25.201 0.166 1.00 0.00 O ATOM 0 H ASP A 18 -14.703 20.924 0.739 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.767 23.718 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.324 22.368 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -16.382 23.448 1.845 1.00 0.00 H new ATOM 287 N PRO A 19 -14.018 24.150 3.294 1.00 0.00 N ATOM 288 CA PRO A 19 -13.786 24.319 4.731 1.00 0.00 C ATOM 289 C PRO A 19 -15.010 23.950 5.563 1.00 0.00 C ATOM 290 O PRO A 19 -14.890 23.334 6.621 1.00 0.00 O ATOM 291 CB PRO A 19 -13.476 25.811 4.868 1.00 0.00 C ATOM 292 CG PRO A 19 -14.149 26.446 3.700 1.00 0.00 C ATOM 293 CD PRO A 19 -14.081 25.440 2.585 1.00 0.00 C ATOM 0 HA PRO A 19 -12.989 23.670 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.856 26.210 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.402 25.995 4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.183 26.698 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.650 27.374 3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.955 25.500 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.205 25.596 1.956 1.00 0.00 H new ATOM 301 N ASN A 20 -16.187 24.330 5.076 1.00 0.00 N ATOM 302 CA ASN A 20 -17.433 24.039 5.776 1.00 0.00 C ATOM 303 C ASN A 20 -17.834 22.579 5.588 1.00 0.00 C ATOM 304 O ASN A 20 -18.710 22.071 6.286 1.00 0.00 O ATOM 305 CB ASN A 20 -18.550 24.955 5.272 1.00 0.00 C ATOM 306 CG ASN A 20 -18.751 26.166 6.162 1.00 0.00 C ATOM 307 OD1 ASN A 20 -19.736 26.254 6.896 1.00 0.00 O ATOM 308 ND2 ASN A 20 -17.816 27.107 6.101 1.00 0.00 N ATOM 0 H ASN A 20 -16.304 24.840 4.200 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.275 24.220 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.316 25.286 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.481 24.391 5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.897 27.945 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -17.016 26.992 5.478 1.00 0.00 H new ATOM 315 N GLY A 21 -17.184 21.910 4.641 1.00 0.00 N ATOM 316 CA GLY A 21 -17.486 20.515 4.379 1.00 0.00 C ATOM 317 C GLY A 21 -17.578 19.693 5.649 1.00 0.00 C ATOM 318 O GLY A 21 -18.645 19.204 6.022 1.00 0.00 O ATOM 0 H GLY A 21 -16.454 22.309 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.429 20.446 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.715 20.095 3.733 1.00 0.00 H new ATOM 322 N PRO A 22 -16.438 19.530 6.337 1.00 0.00 N ATOM 323 CA PRO A 22 -16.369 18.761 7.583 1.00 0.00 C ATOM 324 C PRO A 22 -17.080 19.460 8.737 1.00 0.00 C ATOM 325 O PRO A 22 -17.788 20.446 8.535 1.00 0.00 O ATOM 326 CB PRO A 22 -14.866 18.668 7.859 1.00 0.00 C ATOM 327 CG PRO A 22 -14.280 19.852 7.171 1.00 0.00 C ATOM 328 CD PRO A 22 -15.130 20.085 5.952 1.00 0.00 C ATOM 0 HA PRO A 22 -16.861 17.793 7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.658 18.689 8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.449 17.738 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.286 20.725 7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.242 19.668 6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.200 21.145 5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.722 19.582 5.075 1.00 0.00 H new ATOM 336 N ARG A 23 -16.886 18.943 9.945 1.00 0.00 N ATOM 337 CA ARG A 23 -17.510 19.517 11.131 1.00 0.00 C ATOM 338 C ARG A 23 -16.928 20.894 11.439 1.00 0.00 C ATOM 339 O ARG A 23 -15.828 21.228 10.998 1.00 0.00 O ATOM 340 CB ARG A 23 -17.320 18.591 12.333 1.00 0.00 C ATOM 341 CG ARG A 23 -18.289 17.421 12.360 1.00 0.00 C ATOM 342 CD ARG A 23 -19.510 17.728 13.214 1.00 0.00 C ATOM 343 NE ARG A 23 -19.797 16.657 14.164 1.00 0.00 N ATOM 344 CZ ARG A 23 -20.832 16.670 14.996 1.00 0.00 C ATOM 345 NH1 ARG A 23 -21.675 17.694 14.994 1.00 0.00 N ATOM 346 NH2 ARG A 23 -21.026 15.658 15.832 1.00 0.00 N ATOM 0 H ARG A 23 -16.302 18.127 10.129 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.576 19.628 10.932 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.300 18.207 12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.437 19.170 13.249 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.605 17.185 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.784 16.538 12.750 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.348 18.660 13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.375 17.881 12.568 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.168 15.855 14.190 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.529 18.474 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.469 17.702 15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.380 14.869 15.836 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -21.821 15.669 16.471 1.00 0.00 H new ATOM 360 N LYS A 24 -17.673 21.690 12.198 1.00 0.00 N ATOM 361 CA LYS A 24 -17.232 23.030 12.567 1.00 0.00 C ATOM 362 C LYS A 24 -16.011 22.969 13.479 1.00 0.00 C ATOM 363 O LYS A 24 -16.138 22.965 14.703 1.00 0.00 O ATOM 364 CB LYS A 24 -18.364 23.788 13.262 1.00 0.00 C ATOM 365 CG LYS A 24 -18.282 25.295 13.091 1.00 0.00 C ATOM 366 CD LYS A 24 -18.214 26.006 14.432 1.00 0.00 C ATOM 367 CE LYS A 24 -17.908 27.487 14.263 1.00 0.00 C ATOM 368 NZ LYS A 24 -16.461 27.779 14.458 1.00 0.00 N ATOM 0 H LYS A 24 -18.586 21.430 12.570 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.956 23.559 11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.319 23.438 12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.350 23.550 14.326 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.402 25.547 12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.151 25.647 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.162 25.887 14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.446 25.543 15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.213 27.810 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.495 28.063 14.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.293 28.798 14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.176 27.494 15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.903 27.249 13.759 1.00 0.00 H new ATOM 382 N VAL A 25 -14.828 22.923 12.874 1.00 0.00 N ATOM 383 CA VAL A 25 -13.584 22.866 13.632 1.00 0.00 C ATOM 384 C VAL A 25 -12.435 23.495 12.852 1.00 0.00 C ATOM 385 O VAL A 25 -12.589 23.861 11.686 1.00 0.00 O ATOM 386 CB VAL A 25 -13.212 21.415 13.992 1.00 0.00 C ATOM 387 CG1 VAL A 25 -14.306 20.777 14.834 1.00 0.00 C ATOM 388 CG2 VAL A 25 -12.956 20.603 12.731 1.00 0.00 C ATOM 0 H VAL A 25 -14.705 22.924 11.861 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.747 23.430 14.550 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.295 21.428 14.581 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.026 19.752 15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.436 21.347 15.754 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.241 20.774 14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.694 19.581 13.003 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.855 20.596 12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.135 21.050 12.171 1.00 0.00 H new ATOM 398 N LEU A 26 -11.283 23.617 13.501 1.00 0.00 N ATOM 399 CA LEU A 26 -10.106 24.201 12.868 1.00 0.00 C ATOM 400 C LEU A 26 -8.872 24.031 13.750 1.00 0.00 C ATOM 401 O LEU A 26 -8.848 24.483 14.894 1.00 0.00 O ATOM 402 CB LEU A 26 -10.341 25.685 12.581 1.00 0.00 C ATOM 403 CG LEU A 26 -10.245 26.625 13.783 1.00 0.00 C ATOM 404 CD1 LEU A 26 -10.480 28.065 13.355 1.00 0.00 C ATOM 405 CD2 LEU A 26 -11.241 26.218 14.859 1.00 0.00 C ATOM 0 H LEU A 26 -11.139 23.319 14.466 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.932 23.678 11.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.617 26.009 11.833 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.330 25.796 12.136 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.240 26.550 14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.408 28.719 14.224 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.728 28.353 12.620 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.473 28.156 12.914 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.159 26.898 15.707 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.252 26.263 14.455 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.027 25.201 15.187 1.00 0.00 H new ATOM 417 N GLY A 27 -7.849 23.378 13.207 1.00 0.00 N ATOM 418 CA GLY A 27 -6.625 23.162 13.957 1.00 0.00 C ATOM 419 C GLY A 27 -5.636 22.288 13.213 1.00 0.00 C ATOM 420 O GLY A 27 -5.405 22.476 12.019 1.00 0.00 O ATOM 0 H GLY A 27 -7.846 22.995 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.162 24.124 14.176 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.866 22.699 14.914 1.00 0.00 H new ATOM 424 N VAL A 28 -5.048 21.329 13.921 1.00 0.00 N ATOM 425 CA VAL A 28 -4.077 20.422 13.320 1.00 0.00 C ATOM 426 C VAL A 28 -4.183 19.025 13.922 1.00 0.00 C ATOM 427 O VAL A 28 -4.560 18.865 15.084 1.00 0.00 O ATOM 428 CB VAL A 28 -2.637 20.939 13.503 1.00 0.00 C ATOM 429 CG1 VAL A 28 -1.692 20.240 12.539 1.00 0.00 C ATOM 430 CG2 VAL A 28 -2.586 22.448 13.313 1.00 0.00 C ATOM 0 H VAL A 28 -5.227 21.160 14.911 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.306 20.374 12.255 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.314 20.712 14.519 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.680 20.618 12.683 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.708 19.167 12.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.009 20.433 11.514 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.562 22.797 13.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.928 22.700 12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.231 22.929 14.048 1.00 0.00 H new ATOM 440 N PHE A 29 -3.848 18.016 13.125 1.00 0.00 N ATOM 441 CA PHE A 29 -3.907 16.632 13.579 1.00 0.00 C ATOM 442 C PHE A 29 -2.593 15.909 13.293 1.00 0.00 C ATOM 443 O PHE A 29 -1.860 16.276 12.375 1.00 0.00 O ATOM 444 CB PHE A 29 -5.064 15.898 12.899 1.00 0.00 C ATOM 445 CG PHE A 29 -6.318 15.860 13.725 1.00 0.00 C ATOM 446 CD1 PHE A 29 -6.917 14.652 14.045 1.00 0.00 C ATOM 447 CD2 PHE A 29 -6.898 17.032 14.182 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.070 14.614 14.805 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.052 17.000 14.943 1.00 0.00 C ATOM 450 CZ PHE A 29 -8.639 15.789 15.254 1.00 0.00 C ATOM 0 H PHE A 29 -3.533 18.131 12.162 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.072 16.637 14.656 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.281 16.381 11.946 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.755 14.877 12.675 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.477 13.729 13.696 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.444 17.982 13.941 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.526 13.666 15.048 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.494 17.921 15.294 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.541 15.761 15.847 1.00 0.00 H new ATOM 460 N GLN A 30 -2.305 14.882 14.085 1.00 0.00 N ATOM 461 CA GLN A 30 -1.080 14.109 13.917 1.00 0.00 C ATOM 462 C GLN A 30 -1.395 12.644 13.631 1.00 0.00 C ATOM 463 O GLN A 30 -1.727 11.881 14.540 1.00 0.00 O ATOM 464 CB GLN A 30 -0.206 14.220 15.167 1.00 0.00 C ATOM 465 CG GLN A 30 1.226 13.758 14.952 1.00 0.00 C ATOM 466 CD GLN A 30 1.821 14.282 13.660 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.585 15.427 13.274 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.598 13.445 12.984 1.00 0.00 N ATOM 0 H GLN A 30 -2.902 14.566 14.849 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.537 14.518 13.065 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.198 15.257 15.503 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.653 13.629 15.966 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.840 14.088 15.790 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.255 12.668 14.945 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.767 12.505 13.341 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.027 13.742 12.107 1.00 0.00 H new ATOM 477 N LEU A 31 -1.290 12.258 12.365 1.00 0.00 N ATOM 478 CA LEU A 31 -1.565 10.884 11.959 1.00 0.00 C ATOM 479 C LEU A 31 -0.271 10.086 11.826 1.00 0.00 C ATOM 480 O LEU A 31 0.759 10.620 11.418 1.00 0.00 O ATOM 481 CB LEU A 31 -2.326 10.866 10.632 1.00 0.00 C ATOM 482 CG LEU A 31 -1.501 11.163 9.380 1.00 0.00 C ATOM 483 CD1 LEU A 31 -1.002 9.872 8.751 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.320 11.965 8.379 1.00 0.00 C ATOM 0 H LEU A 31 -1.016 12.877 11.602 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.180 10.420 12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.787 9.885 10.514 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.135 11.594 10.691 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.636 11.759 9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.417 10.103 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.378 9.336 9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.853 9.250 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.717 12.167 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.204 11.395 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.627 12.908 8.832 1.00 0.00 H new ATOM 496 N ASN A 32 -0.334 8.805 12.173 1.00 0.00 N ATOM 497 CA ASN A 32 0.832 7.933 12.092 1.00 0.00 C ATOM 498 C ASN A 32 0.521 6.683 11.274 1.00 0.00 C ATOM 499 O ASN A 32 -0.471 5.997 11.524 1.00 0.00 O ATOM 500 CB ASN A 32 1.297 7.536 13.494 1.00 0.00 C ATOM 501 CG ASN A 32 1.174 8.674 14.488 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.564 9.807 14.203 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.630 8.378 15.663 1.00 0.00 N ATOM 0 H ASN A 32 -1.180 8.348 12.513 1.00 0.00 H new ATOM 0 HA ASN A 32 1.631 8.482 11.594 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.708 6.688 13.842 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.335 7.207 13.450 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.522 9.103 16.372 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.321 7.425 15.856 1.00 0.00 H new ATOM 510 N ILE A 33 1.374 6.394 10.298 1.00 0.00 N ATOM 511 CA ILE A 33 1.191 5.226 9.445 1.00 0.00 C ATOM 512 C ILE A 33 1.982 4.033 9.970 1.00 0.00 C ATOM 513 O ILE A 33 3.208 3.992 9.866 1.00 0.00 O ATOM 514 CB ILE A 33 1.622 5.515 7.995 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.150 6.907 7.567 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.070 4.452 7.057 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.353 7.027 7.453 1.00 0.00 C ATOM 0 H ILE A 33 2.199 6.952 10.078 1.00 0.00 H new ATOM 0 HA ILE A 33 0.127 4.988 9.459 1.00 0.00 H new ATOM 0 HB ILE A 33 2.710 5.489 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.511 7.641 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.600 7.155 6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.383 4.670 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.450 3.474 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.019 4.450 7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.615 8.040 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.720 6.317 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.810 6.811 8.419 1.00 0.00 H new ATOM 529 N LYS A 34 1.272 3.061 10.532 1.00 0.00 N ATOM 530 CA LYS A 34 1.905 1.863 11.071 1.00 0.00 C ATOM 531 C LYS A 34 2.360 0.936 9.948 1.00 0.00 C ATOM 532 O LYS A 34 1.563 0.179 9.392 1.00 0.00 O ATOM 533 CB LYS A 34 0.938 1.123 11.998 1.00 0.00 C ATOM 534 CG LYS A 34 1.392 1.087 13.447 1.00 0.00 C ATOM 535 CD LYS A 34 0.294 0.573 14.363 1.00 0.00 C ATOM 536 CE LYS A 34 0.212 -0.945 14.339 1.00 0.00 C ATOM 537 NZ LYS A 34 -1.068 -1.441 14.916 1.00 0.00 N ATOM 0 H LYS A 34 0.257 3.079 10.626 1.00 0.00 H new ATOM 0 HA LYS A 34 2.781 2.171 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.040 1.600 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.814 0.101 11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.271 0.449 13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.690 2.087 13.761 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.481 0.912 15.382 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.663 0.995 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.308 -1.298 13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.049 -1.363 14.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.085 -2.480 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.148 -1.126 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.866 -1.063 14.366 1.00 0.00 H new ATOM 551 N THR A 35 3.647 0.998 9.620 1.00 0.00 N ATOM 552 CA THR A 35 4.207 0.164 8.564 1.00 0.00 C ATOM 553 C THR A 35 4.952 -1.032 9.146 1.00 0.00 C ATOM 554 O THR A 35 5.188 -1.102 10.351 1.00 0.00 O ATOM 555 CB THR A 35 5.168 0.966 7.666 1.00 0.00 C ATOM 556 OG1 THR A 35 6.417 1.163 8.338 1.00 0.00 O ATOM 557 CG2 THR A 35 4.567 2.313 7.297 1.00 0.00 C ATOM 0 H THR A 35 4.321 1.617 10.071 1.00 0.00 H new ATOM 0 HA THR A 35 3.370 -0.190 7.962 1.00 0.00 H new ATOM 0 HB THR A 35 5.334 0.398 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.023 1.672 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.264 2.861 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.631 2.159 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.374 2.886 8.204 1.00 0.00 H new ATOM 565 N ALA A 36 5.320 -1.971 8.281 1.00 0.00 N ATOM 566 CA ALA A 36 6.041 -3.164 8.709 1.00 0.00 C ATOM 567 C ALA A 36 7.512 -2.855 8.962 1.00 0.00 C ATOM 568 O ALA A 36 8.270 -3.716 9.408 1.00 0.00 O ATOM 569 CB ALA A 36 5.902 -4.266 7.669 1.00 0.00 C ATOM 0 H ALA A 36 5.131 -1.929 7.280 1.00 0.00 H new ATOM 0 HA ALA A 36 5.603 -3.507 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.445 -5.151 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.848 -4.514 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.313 -3.924 6.719 1.00 0.00 H new ATOM 575 N SER A 37 7.911 -1.620 8.674 1.00 0.00 N ATOM 576 CA SER A 37 9.293 -1.198 8.866 1.00 0.00 C ATOM 577 C SER A 37 9.397 -0.173 9.991 1.00 0.00 C ATOM 578 O SER A 37 10.473 0.053 10.543 1.00 0.00 O ATOM 579 CB SER A 37 9.854 -0.609 7.571 1.00 0.00 C ATOM 580 OG SER A 37 9.337 -1.285 6.438 1.00 0.00 O ATOM 0 H SER A 37 7.296 -0.894 8.307 1.00 0.00 H new ATOM 0 HA SER A 37 9.879 -2.075 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.605 0.450 7.512 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.942 -0.681 7.576 1.00 0.00 H new ATOM 0 HG SER A 37 9.709 -0.889 5.623 1.00 0.00 H new ATOM 586 N GLY A 38 8.269 0.445 10.327 1.00 0.00 N ATOM 587 CA GLY A 38 8.253 1.439 11.384 1.00 0.00 C ATOM 588 C GLY A 38 6.941 2.196 11.448 1.00 0.00 C ATOM 589 O GLY A 38 5.867 1.598 11.391 1.00 0.00 O ATOM 0 H GLY A 38 7.365 0.275 9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.434 0.950 12.341 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.069 2.145 11.227 1.00 0.00 H new ATOM 593 N VAL A 39 7.028 3.517 11.570 1.00 0.00 N ATOM 594 CA VAL A 39 5.838 4.357 11.644 1.00 0.00 C ATOM 595 C VAL A 39 6.076 5.706 10.974 1.00 0.00 C ATOM 596 O VAL A 39 6.894 6.502 11.434 1.00 0.00 O ATOM 597 CB VAL A 39 5.405 4.590 13.103 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.446 5.768 13.194 1.00 0.00 C ATOM 599 CG2 VAL A 39 4.773 3.332 13.678 1.00 0.00 C ATOM 0 H VAL A 39 7.909 4.028 11.620 1.00 0.00 H new ATOM 0 HA VAL A 39 5.044 3.828 11.118 1.00 0.00 H new ATOM 0 HB VAL A 39 6.290 4.827 13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.151 5.917 14.233 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.938 6.667 12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.561 5.564 12.591 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.473 3.515 14.710 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.897 3.062 13.088 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.495 2.516 13.649 1.00 0.00 H new ATOM 609 N GLU A 40 5.355 5.956 9.886 1.00 0.00 N ATOM 610 CA GLU A 40 5.488 7.209 9.153 1.00 0.00 C ATOM 611 C GLU A 40 4.532 8.265 9.702 1.00 0.00 C ATOM 612 O GLU A 40 3.315 8.147 9.561 1.00 0.00 O ATOM 613 CB GLU A 40 5.218 6.986 7.663 1.00 0.00 C ATOM 614 CG GLU A 40 6.469 6.684 6.856 1.00 0.00 C ATOM 615 CD GLU A 40 6.180 5.857 5.619 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.231 6.419 4.505 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.902 4.648 5.764 1.00 0.00 O ATOM 0 H GLU A 40 4.673 5.308 9.493 1.00 0.00 H new ATOM 0 HA GLU A 40 6.510 7.567 9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.515 6.161 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.737 7.874 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.941 7.621 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.183 6.152 7.485 1.00 0.00 H new ATOM 624 N GLN A 41 5.093 9.295 10.327 1.00 0.00 N ATOM 625 CA GLN A 41 4.291 10.370 10.898 1.00 0.00 C ATOM 626 C GLN A 41 3.974 11.430 9.848 1.00 0.00 C ATOM 627 O GLN A 41 4.812 11.751 9.005 1.00 0.00 O ATOM 628 CB GLN A 41 5.024 11.009 12.080 1.00 0.00 C ATOM 629 CG GLN A 41 5.575 9.998 13.073 1.00 0.00 C ATOM 630 CD GLN A 41 4.958 10.137 14.450 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.216 11.107 15.164 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.137 9.166 14.833 1.00 0.00 N ATOM 0 H GLN A 41 6.099 9.408 10.451 1.00 0.00 H new ATOM 0 HA GLN A 41 3.353 9.942 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.845 11.618 11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.341 11.681 12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.394 8.991 12.698 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.655 10.121 13.149 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.951 8.380 14.210 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.693 9.206 15.750 1.00 0.00 H new ATOM 641 N TRP A 42 2.762 11.968 9.906 1.00 0.00 N ATOM 642 CA TRP A 42 2.334 12.991 8.959 1.00 0.00 C ATOM 643 C TRP A 42 1.542 14.088 9.662 1.00 0.00 C ATOM 644 O TRP A 42 0.800 13.820 10.608 1.00 0.00 O ATOM 645 CB TRP A 42 1.488 12.366 7.848 1.00 0.00 C ATOM 646 CG TRP A 42 2.300 11.635 6.822 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.529 10.290 6.765 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.991 12.210 5.708 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.322 9.994 5.682 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.618 11.155 5.017 1.00 0.00 C ATOM 651 CE3 TRP A 42 3.140 13.513 5.226 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.381 11.365 3.872 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.898 13.720 4.089 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.510 12.651 3.422 1.00 0.00 C ATOM 0 H TRP A 42 2.058 11.713 10.599 1.00 0.00 H new ATOM 0 HA TRP A 42 3.226 13.438 8.519 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.771 11.676 8.292 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.913 13.150 7.355 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.144 9.566 7.467 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.639 9.061 5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.671 14.344 5.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.854 10.542 3.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.021 14.723 3.708 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.095 12.845 2.535 1.00 0.00 H new ATOM 665 N ILE A 43 1.705 15.321 9.196 1.00 0.00 N ATOM 666 CA ILE A 43 1.004 16.457 9.781 1.00 0.00 C ATOM 667 C ILE A 43 -0.099 16.959 8.855 1.00 0.00 C ATOM 668 O ILE A 43 0.091 17.058 7.643 1.00 0.00 O ATOM 669 CB ILE A 43 1.969 17.617 10.088 1.00 0.00 C ATOM 670 CG1 ILE A 43 3.064 17.157 11.053 1.00 0.00 C ATOM 671 CG2 ILE A 43 1.208 18.800 10.668 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.437 17.690 10.706 1.00 0.00 C ATOM 0 H ILE A 43 2.316 15.559 8.415 1.00 0.00 H new ATOM 0 HA ILE A 43 0.561 16.108 10.714 1.00 0.00 H new ATOM 0 HB ILE A 43 2.440 17.934 9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.804 17.475 12.063 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.097 16.068 11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.904 19.612 10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.462 19.140 9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.713 18.497 11.590 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.163 17.324 11.432 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.718 17.351 9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.420 18.780 10.727 1.00 0.00 H new ATOM 684 N VAL A 44 -1.252 17.277 9.434 1.00 0.00 N ATOM 685 CA VAL A 44 -2.385 17.772 8.661 1.00 0.00 C ATOM 686 C VAL A 44 -3.088 18.913 9.387 1.00 0.00 C ATOM 687 O VAL A 44 -3.289 18.861 10.601 1.00 0.00 O ATOM 688 CB VAL A 44 -3.404 16.652 8.379 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.317 16.446 9.578 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.213 16.971 7.131 1.00 0.00 C ATOM 0 H VAL A 44 -1.426 17.201 10.436 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.987 18.138 7.714 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.859 15.724 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.030 15.651 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.720 16.170 10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.856 17.370 9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.928 16.169 6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.749 17.909 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.543 17.063 6.277 1.00 0.00 H new ATOM 700 N ASP A 45 -3.461 19.944 8.636 1.00 0.00 N ATOM 701 CA ASP A 45 -4.144 21.099 9.207 1.00 0.00 C ATOM 702 C ASP A 45 -5.601 21.146 8.757 1.00 0.00 C ATOM 703 O ASP A 45 -5.910 20.890 7.592 1.00 0.00 O ATOM 704 CB ASP A 45 -3.431 22.390 8.805 1.00 0.00 C ATOM 705 CG ASP A 45 -3.642 23.505 9.810 1.00 0.00 C ATOM 706 OD1 ASP A 45 -2.649 23.939 10.433 1.00 0.00 O ATOM 707 OD2 ASP A 45 -4.799 23.945 9.974 1.00 0.00 O ATOM 0 H ASP A 45 -3.302 20.003 7.630 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.121 21.004 10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.364 22.195 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.792 22.712 7.828 1.00 0.00 H new ATOM 712 N LEU A 46 -6.491 21.474 9.686 1.00 0.00 N ATOM 713 CA LEU A 46 -7.917 21.554 9.385 1.00 0.00 C ATOM 714 C LEU A 46 -8.287 22.942 8.870 1.00 0.00 C ATOM 715 O LEU A 46 -9.011 23.077 7.883 1.00 0.00 O ATOM 716 CB LEU A 46 -8.740 21.223 10.631 1.00 0.00 C ATOM 717 CG LEU A 46 -8.043 20.366 11.688 1.00 0.00 C ATOM 718 CD1 LEU A 46 -8.951 20.159 12.891 1.00 0.00 C ATOM 719 CD2 LEU A 46 -7.624 19.028 11.098 1.00 0.00 C ATOM 0 H LEU A 46 -6.252 21.689 10.654 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.141 20.826 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.049 22.159 11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.648 20.709 10.316 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.147 20.891 12.020 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.438 19.547 13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.201 21.125 13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.865 19.656 12.575 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.130 18.431 11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.505 18.497 10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.937 19.195 10.269 1.00 0.00 H new ATOM 731 N LYS A 47 -7.785 23.971 9.544 1.00 0.00 N ATOM 732 CA LYS A 47 -8.060 25.349 9.154 1.00 0.00 C ATOM 733 C LYS A 47 -7.931 25.523 7.645 1.00 0.00 C ATOM 734 O LYS A 47 -8.909 25.817 6.959 1.00 0.00 O ATOM 735 CB LYS A 47 -7.104 26.304 9.873 1.00 0.00 C ATOM 736 CG LYS A 47 -6.923 25.988 11.347 1.00 0.00 C ATOM 737 CD LYS A 47 -7.162 27.214 12.213 1.00 0.00 C ATOM 738 CE LYS A 47 -6.550 27.047 13.596 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.237 28.360 14.225 1.00 0.00 N ATOM 0 H LYS A 47 -7.185 23.877 10.364 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.084 25.585 9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.132 26.270 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.477 27.323 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.613 25.196 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.915 25.611 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.735 28.092 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.233 27.391 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.239 26.494 14.234 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.639 26.454 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.822 28.204 15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.560 28.878 13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.110 28.916 14.320 1.00 0.00 H new ATOM 753 N GLN A 48 -6.718 25.338 7.134 1.00 0.00 N ATOM 754 CA GLN A 48 -6.462 25.474 5.705 1.00 0.00 C ATOM 755 C GLN A 48 -6.347 24.106 5.040 1.00 0.00 C ATOM 756 O GLN A 48 -6.677 23.083 5.639 1.00 0.00 O ATOM 757 CB GLN A 48 -5.183 26.279 5.469 1.00 0.00 C ATOM 758 CG GLN A 48 -5.125 27.575 6.261 1.00 0.00 C ATOM 759 CD GLN A 48 -3.998 28.484 5.810 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.026 28.034 5.204 1.00 0.00 O ATOM 761 NE2 GLN A 48 -4.124 29.773 6.105 1.00 0.00 N ATOM 0 H GLN A 48 -5.897 25.094 7.688 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.304 26.004 5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.323 25.664 5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.099 26.508 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.074 28.101 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.000 27.345 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.947 30.103 6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.398 30.433 5.827 1.00 0.00 H new ATOM 770 N LEU A 49 -5.876 24.096 3.798 1.00 0.00 N ATOM 771 CA LEU A 49 -5.717 22.854 3.050 1.00 0.00 C ATOM 772 C LEU A 49 -4.250 22.603 2.716 1.00 0.00 C ATOM 773 O LEU A 49 -3.842 22.685 1.557 1.00 0.00 O ATOM 774 CB LEU A 49 -6.543 22.901 1.763 1.00 0.00 C ATOM 775 CG LEU A 49 -8.048 23.108 1.939 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.587 22.200 3.033 1.00 0.00 C ATOM 777 CD2 LEU A 49 -8.353 24.565 2.254 1.00 0.00 C ATOM 0 H LEU A 49 -5.598 24.934 3.288 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.074 22.035 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.157 23.705 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.386 21.969 1.220 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.543 22.848 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.659 22.361 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.402 21.159 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.086 22.428 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.429 24.693 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.847 24.852 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.003 25.195 1.436 1.00 0.00 H new ATOM 789 N LYS A 50 -3.460 22.295 3.740 1.00 0.00 N ATOM 790 CA LYS A 50 -2.038 22.028 3.557 1.00 0.00 C ATOM 791 C LYS A 50 -1.662 20.666 4.130 1.00 0.00 C ATOM 792 O LYS A 50 -2.432 20.062 4.878 1.00 0.00 O ATOM 793 CB LYS A 50 -1.203 23.123 4.224 1.00 0.00 C ATOM 794 CG LYS A 50 -1.340 23.155 5.737 1.00 0.00 C ATOM 795 CD LYS A 50 -0.228 22.374 6.415 1.00 0.00 C ATOM 796 CE LYS A 50 0.734 23.295 7.148 1.00 0.00 C ATOM 797 NZ LYS A 50 0.039 24.117 8.177 1.00 0.00 N ATOM 0 H LYS A 50 -3.781 22.224 4.706 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.829 22.022 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.154 22.977 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.499 24.091 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.323 24.189 6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.305 22.739 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.659 21.662 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.318 21.795 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.514 22.701 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.226 23.951 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.548 24.045 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.017 25.111 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.934 23.771 8.299 1.00 0.00 H new ATOM 811 N VAL A 51 -0.474 20.187 3.776 1.00 0.00 N ATOM 812 CA VAL A 51 0.005 18.897 4.257 1.00 0.00 C ATOM 813 C VAL A 51 1.512 18.921 4.485 1.00 0.00 C ATOM 814 O VAL A 51 2.264 19.466 3.677 1.00 0.00 O ATOM 815 CB VAL A 51 -0.336 17.767 3.268 1.00 0.00 C ATOM 816 CG1 VAL A 51 0.293 16.456 3.717 1.00 0.00 C ATOM 817 CG2 VAL A 51 -1.843 17.622 3.123 1.00 0.00 C ATOM 0 H VAL A 51 0.175 20.673 3.157 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.500 18.705 5.204 1.00 0.00 H new ATOM 0 HB VAL A 51 0.077 18.025 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.041 15.669 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.376 16.569 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.087 16.189 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.065 16.819 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.281 17.387 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.264 18.556 2.751 1.00 0.00 H new ATOM 827 N ASP A 52 1.947 18.326 5.591 1.00 0.00 N ATOM 828 CA ASP A 52 3.366 18.277 5.925 1.00 0.00 C ATOM 829 C ASP A 52 3.750 16.902 6.462 1.00 0.00 C ATOM 830 O ASP A 52 2.902 16.157 6.951 1.00 0.00 O ATOM 831 CB ASP A 52 3.706 19.355 6.957 1.00 0.00 C ATOM 832 CG ASP A 52 2.750 20.530 6.902 1.00 0.00 C ATOM 833 OD1 ASP A 52 3.119 21.568 6.313 1.00 0.00 O ATOM 834 OD2 ASP A 52 1.633 20.412 7.447 1.00 0.00 O ATOM 0 H ASP A 52 1.338 17.871 6.271 1.00 0.00 H new ATOM 0 HA ASP A 52 3.936 18.464 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.683 18.918 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.723 19.709 6.787 1.00 0.00 H new ATOM 839 N GLN A 53 5.034 16.573 6.366 1.00 0.00 N ATOM 840 CA GLN A 53 5.530 15.287 6.840 1.00 0.00 C ATOM 841 C GLN A 53 6.275 15.444 8.162 1.00 0.00 C ATOM 842 O GLN A 53 7.019 16.405 8.356 1.00 0.00 O ATOM 843 CB GLN A 53 6.451 14.654 5.795 1.00 0.00 C ATOM 844 CG GLN A 53 6.522 13.138 5.885 1.00 0.00 C ATOM 845 CD GLN A 53 7.307 12.522 4.744 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.836 13.229 3.886 1.00 0.00 O ATOM 847 NE2 GLN A 53 7.386 11.197 4.727 1.00 0.00 N ATOM 0 H GLN A 53 5.749 17.179 5.964 1.00 0.00 H new ATOM 0 HA GLN A 53 4.673 14.634 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.105 14.935 4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.454 15.064 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.982 12.855 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.511 12.730 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.932 10.650 5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.900 10.726 3.983 1.00 0.00 H new ATOM 856 N GLY A 54 6.069 14.494 9.069 1.00 0.00 N ATOM 857 CA GLY A 54 6.728 14.546 10.361 1.00 0.00 C ATOM 858 C GLY A 54 5.745 14.671 11.508 1.00 0.00 C ATOM 859 O GLY A 54 4.567 14.341 11.365 1.00 0.00 O ATOM 0 H GLY A 54 5.457 13.689 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.327 13.646 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.415 15.392 10.381 1.00 0.00 H new ATOM 863 N VAL A 55 6.229 15.146 12.651 1.00 0.00 N ATOM 864 CA VAL A 55 5.385 15.313 13.828 1.00 0.00 C ATOM 865 C VAL A 55 5.251 16.784 14.205 1.00 0.00 C ATOM 866 O VAL A 55 6.234 17.438 14.554 1.00 0.00 O ATOM 867 CB VAL A 55 5.944 14.534 15.034 1.00 0.00 C ATOM 868 CG1 VAL A 55 7.373 14.962 15.331 1.00 0.00 C ATOM 869 CG2 VAL A 55 5.056 14.732 16.253 1.00 0.00 C ATOM 0 H VAL A 55 7.201 15.422 12.787 1.00 0.00 H new ATOM 0 HA VAL A 55 4.403 14.916 13.572 1.00 0.00 H new ATOM 0 HB VAL A 55 5.952 13.473 14.786 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.751 14.401 16.186 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.000 14.765 14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.394 16.028 15.559 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.465 14.175 17.096 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.014 15.792 16.504 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.051 14.371 16.034 1.00 0.00 H new ATOM 879 N PHE A 56 4.028 17.299 14.131 1.00 0.00 N ATOM 880 CA PHE A 56 3.765 18.694 14.464 1.00 0.00 C ATOM 881 C PHE A 56 4.342 19.045 15.832 1.00 0.00 C ATOM 882 O PHE A 56 4.394 18.204 16.730 1.00 0.00 O ATOM 883 CB PHE A 56 2.260 18.969 14.446 1.00 0.00 C ATOM 884 CG PHE A 56 1.917 20.413 14.218 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.018 21.065 15.046 1.00 0.00 C ATOM 886 CD2 PHE A 56 2.494 21.119 13.174 1.00 0.00 C ATOM 887 CE1 PHE A 56 0.701 22.395 14.839 1.00 0.00 C ATOM 888 CE2 PHE A 56 2.181 22.448 12.962 1.00 0.00 C ATOM 889 CZ PHE A 56 1.282 23.087 13.794 1.00 0.00 C ATOM 0 H PHE A 56 3.204 16.771 13.843 1.00 0.00 H new ATOM 0 HA PHE A 56 4.250 19.319 13.714 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.798 18.366 13.664 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.829 18.647 15.394 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.559 20.528 15.863 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.196 20.625 12.519 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.000 22.892 15.493 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.639 22.987 12.146 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.034 24.125 13.628 1.00 0.00 H new ATOM 899 N ALA A 57 4.774 20.292 15.983 1.00 0.00 N ATOM 900 CA ALA A 57 5.345 20.756 17.241 1.00 0.00 C ATOM 901 C ALA A 57 4.346 20.614 18.384 1.00 0.00 C ATOM 902 O ALA A 57 4.730 20.433 19.539 1.00 0.00 O ATOM 903 CB ALA A 57 5.801 22.202 17.113 1.00 0.00 C ATOM 0 H ALA A 57 4.739 21.000 15.249 1.00 0.00 H new ATOM 0 HA ALA A 57 6.209 20.133 17.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.225 22.535 18.060 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.556 22.277 16.331 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.949 22.831 16.856 1.00 0.00 H new ATOM 909 N SER A 58 3.061 20.698 18.054 1.00 0.00 N ATOM 910 CA SER A 58 2.006 20.583 19.054 1.00 0.00 C ATOM 911 C SER A 58 0.644 20.409 18.388 1.00 0.00 C ATOM 912 O SER A 58 -0.166 21.334 18.324 1.00 0.00 O ATOM 913 CB SER A 58 1.992 21.818 19.955 1.00 0.00 C ATOM 914 OG SER A 58 1.341 21.545 21.184 1.00 0.00 O ATOM 0 H SER A 58 2.726 20.845 17.102 1.00 0.00 H new ATOM 0 HA SER A 58 2.209 19.701 19.662 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.014 22.144 20.146 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.486 22.638 19.446 1.00 0.00 H new ATOM 0 HG SER A 58 1.347 22.350 21.743 1.00 0.00 H new ATOM 920 N PRO A 59 0.384 19.195 17.881 1.00 0.00 N ATOM 921 CA PRO A 59 -0.879 18.870 17.212 1.00 0.00 C ATOM 922 C PRO A 59 -2.054 18.824 18.183 1.00 0.00 C ATOM 923 O PRO A 59 -1.872 18.627 19.385 1.00 0.00 O ATOM 924 CB PRO A 59 -0.620 17.483 16.620 1.00 0.00 C ATOM 925 CG PRO A 59 0.441 16.894 17.483 1.00 0.00 C ATOM 926 CD PRO A 59 1.303 18.046 17.923 1.00 0.00 C ATOM 0 HA PRO A 59 -1.152 19.621 16.470 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.523 16.873 16.631 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.294 17.550 15.582 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.006 16.382 18.341 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.026 16.156 16.934 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.704 17.888 18.924 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.154 18.188 17.257 1.00 0.00 H new ATOM 934 N ASP A 60 -3.260 19.006 17.655 1.00 0.00 N ATOM 935 CA ASP A 60 -4.465 18.983 18.475 1.00 0.00 C ATOM 936 C ASP A 60 -4.769 17.567 18.955 1.00 0.00 C ATOM 937 O ASP A 60 -5.128 17.357 20.114 1.00 0.00 O ATOM 938 CB ASP A 60 -5.655 19.533 17.686 1.00 0.00 C ATOM 939 CG ASP A 60 -6.523 20.457 18.518 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.223 21.306 17.926 1.00 0.00 O ATOM 941 OD2 ASP A 60 -6.503 20.331 19.760 1.00 0.00 O ATOM 0 H ASP A 60 -3.428 19.171 16.663 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.293 19.614 19.347 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.290 20.072 16.812 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.259 18.703 17.320 1.00 0.00 H new ATOM 946 N VAL A 61 -4.623 16.599 18.057 1.00 0.00 N ATOM 947 CA VAL A 61 -4.882 15.203 18.389 1.00 0.00 C ATOM 948 C VAL A 61 -3.977 14.271 17.591 1.00 0.00 C ATOM 949 O VAL A 61 -3.664 14.535 16.429 1.00 0.00 O ATOM 950 CB VAL A 61 -6.351 14.825 18.122 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.657 13.443 18.678 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.285 15.868 18.717 1.00 0.00 C ATOM 0 H VAL A 61 -4.327 16.755 17.094 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.672 15.087 19.452 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.512 14.799 17.044 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.699 13.194 18.480 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.011 12.707 18.200 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.481 13.436 19.754 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.319 15.586 18.519 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.125 15.928 19.793 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.081 16.839 18.265 1.00 0.00 H new ATOM 962 N THR A 62 -3.557 13.179 18.222 1.00 0.00 N ATOM 963 CA THR A 62 -2.687 12.207 17.571 1.00 0.00 C ATOM 964 C THR A 62 -3.426 10.903 17.298 1.00 0.00 C ATOM 965 O THR A 62 -3.809 10.188 18.225 1.00 0.00 O ATOM 966 CB THR A 62 -1.441 11.909 18.426 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.744 13.125 18.718 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.510 10.944 17.707 1.00 0.00 C ATOM 0 H THR A 62 -3.805 12.945 19.183 1.00 0.00 H new ATOM 0 HA THR A 62 -2.373 12.647 16.625 1.00 0.00 H new ATOM 0 HB THR A 62 -1.769 11.447 19.357 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.046 12.927 19.263 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.363 10.748 18.330 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.035 10.008 17.513 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.190 11.383 16.762 1.00 0.00 H new ATOM 976 N VAL A 63 -3.624 10.596 16.020 1.00 0.00 N ATOM 977 CA VAL A 63 -4.316 9.375 15.625 1.00 0.00 C ATOM 978 C VAL A 63 -3.355 8.383 14.979 1.00 0.00 C ATOM 979 O VAL A 63 -2.433 8.771 14.262 1.00 0.00 O ATOM 980 CB VAL A 63 -5.464 9.674 14.643 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.934 9.798 13.222 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.533 8.595 14.730 1.00 0.00 C ATOM 0 H VAL A 63 -3.315 11.176 15.240 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.729 8.937 16.534 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.917 10.626 14.920 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.760 10.009 12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.208 10.610 13.174 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.454 8.864 12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.337 8.822 14.030 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.096 7.628 14.480 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.934 8.561 15.743 1.00 0.00 H new ATOM 992 N THR A 64 -3.578 7.098 15.238 1.00 0.00 N ATOM 993 CA THR A 64 -2.732 6.049 14.683 1.00 0.00 C ATOM 994 C THR A 64 -3.555 5.043 13.887 1.00 0.00 C ATOM 995 O THR A 64 -4.609 4.594 14.337 1.00 0.00 O ATOM 996 CB THR A 64 -1.962 5.304 15.790 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.293 6.244 16.639 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.946 4.343 15.190 1.00 0.00 C ATOM 0 H THR A 64 -4.337 6.759 15.829 1.00 0.00 H new ATOM 0 HA THR A 64 -2.018 6.537 14.019 1.00 0.00 H new ATOM 0 HB THR A 64 -2.679 4.730 16.377 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.807 5.763 17.341 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.415 3.829 15.991 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.461 3.611 14.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.234 4.900 14.581 1.00 0.00 H new ATOM 1006 N VAL A 65 -3.066 4.691 12.702 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.756 3.735 11.844 1.00 0.00 C ATOM 1008 C VAL A 65 -2.763 2.871 11.075 1.00 0.00 C ATOM 1009 O VAL A 65 -1.663 3.313 10.747 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.683 4.449 10.842 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.895 5.440 9.998 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -5.395 3.434 9.960 1.00 0.00 C ATOM 0 H VAL A 65 -2.195 5.053 12.314 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.357 3.100 12.495 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.437 5.003 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.566 5.935 9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.435 6.185 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.118 4.911 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.046 3.955 9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.658 2.852 9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.992 2.767 10.582 1.00 0.00 H new ATOM 1022 N GLY A 66 -3.160 1.635 10.789 1.00 0.00 N ATOM 1023 CA GLY A 66 -2.294 0.727 10.060 1.00 0.00 C ATOM 1024 C GLY A 66 -1.946 1.242 8.678 1.00 0.00 C ATOM 1025 O GLY A 66 -2.720 1.982 8.069 1.00 0.00 O ATOM 0 H GLY A 66 -4.066 1.246 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.377 0.570 10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.783 -0.243 9.970 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.777 0.854 8.180 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.326 1.283 6.861 1.00 0.00 C ATOM 1031 C LEU A 67 -1.217 0.704 5.766 1.00 0.00 C ATOM 1032 O LEU A 67 -1.596 1.403 4.827 1.00 0.00 O ATOM 1033 CB LEU A 67 1.125 0.856 6.632 1.00 0.00 C ATOM 1034 CG LEU A 67 1.628 0.933 5.190 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.097 2.343 4.864 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.749 -0.070 4.962 1.00 0.00 C ATOM 0 H LEU A 67 -0.124 0.243 8.670 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.389 2.370 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.768 1.479 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.240 -0.170 6.981 1.00 0.00 H new ATOM 0 HG LEU A 67 0.803 0.683 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.452 2.379 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.268 3.040 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.908 2.621 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.095 -0.001 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.576 0.149 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.380 -1.078 5.155 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.549 -0.577 5.896 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.397 -1.248 4.918 1.00 0.00 C ATOM 1050 C GLU A 68 -3.831 -0.733 4.997 1.00 0.00 C ATOM 1051 O GLU A 68 -4.456 -0.446 3.976 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.373 -2.761 5.143 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.981 -3.365 5.073 1.00 0.00 C ATOM 1054 CD GLU A 68 -0.977 -4.753 4.463 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.787 -5.732 5.216 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.163 -4.862 3.233 1.00 0.00 O ATOM 0 H GLU A 68 -1.244 -1.170 6.668 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.006 -1.030 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.807 -2.982 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.006 -3.241 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.335 -2.712 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.559 -3.412 6.077 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.347 -0.620 6.216 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.707 -0.140 6.430 1.00 0.00 C ATOM 1065 C ASP A 69 -5.928 1.196 5.729 1.00 0.00 C ATOM 1066 O ASP A 69 -6.839 1.337 4.913 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.991 0.002 7.926 1.00 0.00 C ATOM 1068 CG ASP A 69 -6.386 -1.314 8.568 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -5.594 -1.842 9.376 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -7.488 -1.816 8.262 1.00 0.00 O ATOM 0 H ASP A 69 -3.843 -0.855 7.071 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.395 -0.871 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.105 0.395 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.789 0.729 8.074 1.00 0.00 H new ATOM 1075 N MET A 70 -5.089 2.175 6.053 1.00 0.00 N ATOM 1076 CA MET A 70 -5.193 3.500 5.453 1.00 0.00 C ATOM 1077 C MET A 70 -5.151 3.413 3.931 1.00 0.00 C ATOM 1078 O MET A 70 -5.850 4.153 3.237 1.00 0.00 O ATOM 1079 CB MET A 70 -4.063 4.401 5.956 1.00 0.00 C ATOM 1080 CG MET A 70 -3.955 5.717 5.203 1.00 0.00 C ATOM 1081 SD MET A 70 -5.423 6.747 5.391 1.00 0.00 S ATOM 1082 CE MET A 70 -4.859 7.919 6.622 1.00 0.00 C ATOM 0 H MET A 70 -4.330 2.076 6.727 1.00 0.00 H new ATOM 0 HA MET A 70 -6.150 3.931 5.748 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.219 4.609 7.015 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.117 3.865 5.872 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.083 6.265 5.560 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.792 5.513 4.145 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.704 8.510 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.417 7.381 7.461 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.113 8.580 6.180 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.327 2.506 3.417 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.193 2.323 1.976 1.00 0.00 C ATOM 1094 C LEU A 71 -5.559 2.138 1.322 1.00 0.00 C ATOM 1095 O LEU A 71 -5.913 2.858 0.389 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.304 1.115 1.676 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.383 1.245 0.462 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -0.961 0.849 0.826 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -2.897 0.395 -0.691 1.00 0.00 C ATOM 0 H LEU A 71 -3.742 1.886 3.977 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.730 3.219 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.689 0.914 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.944 0.245 1.530 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.378 2.288 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.320 0.948 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.594 1.500 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.948 -0.185 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.229 0.500 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.933 -0.650 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.898 0.726 -0.969 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.321 1.170 1.820 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.650 0.894 1.287 1.00 0.00 C ATOM 1113 C ALA A 72 -8.519 2.147 1.302 1.00 0.00 C ATOM 1114 O ALA A 72 -9.374 2.331 0.435 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.314 -0.222 2.079 1.00 0.00 C ATOM 0 H ALA A 72 -6.041 0.564 2.591 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.540 0.573 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.305 -0.418 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.709 -1.126 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.404 0.077 3.123 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.296 3.004 2.293 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.059 4.239 2.420 1.00 0.00 C ATOM 1123 C ILE A 73 -8.595 5.279 1.405 1.00 0.00 C ATOM 1124 O ILE A 73 -9.362 5.703 0.541 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.939 4.832 3.836 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.115 3.735 4.888 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.967 5.935 4.038 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.883 4.213 6.305 1.00 0.00 C ATOM 0 H ILE A 73 -7.593 2.865 3.019 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.102 3.986 2.228 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.945 5.264 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.123 3.328 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.424 2.920 4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.869 6.344 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.800 6.726 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.969 5.526 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.025 3.383 6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.866 4.594 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.591 5.007 6.542 1.00 0.00 H new ATOM 1140 N SER A 74 -7.334 5.684 1.516 1.00 0.00 N ATOM 1141 CA SER A 74 -6.768 6.676 0.609 1.00 0.00 C ATOM 1142 C SER A 74 -6.899 6.223 -0.842 1.00 0.00 C ATOM 1143 O SER A 74 -6.867 7.037 -1.764 1.00 0.00 O ATOM 1144 CB SER A 74 -5.297 6.926 0.947 1.00 0.00 C ATOM 1145 OG SER A 74 -5.028 8.313 1.058 1.00 0.00 O ATOM 0 H SER A 74 -6.685 5.341 2.224 1.00 0.00 H new ATOM 0 HA SER A 74 -7.325 7.605 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.046 6.428 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.664 6.490 0.174 1.00 0.00 H new ATOM 0 HG SER A 74 -4.152 8.509 0.664 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.046 4.916 -1.036 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.179 4.375 -2.376 1.00 0.00 C ATOM 1153 C GLY A 75 -8.607 4.421 -2.881 1.00 0.00 C ATOM 1154 O GLY A 75 -8.925 3.848 -3.923 1.00 0.00 O ATOM 0 H GLY A 75 -7.075 4.222 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.538 4.936 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.827 3.343 -2.385 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.473 5.104 -2.140 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.877 5.223 -2.517 1.00 0.00 C ATOM 1160 C LYS A 76 -11.560 3.860 -2.506 1.00 0.00 C ATOM 1161 O LYS A 76 -12.131 3.431 -3.509 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.001 5.857 -3.904 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.265 6.681 -4.085 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.759 6.635 -5.521 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.627 7.839 -5.851 1.00 0.00 C ATOM 1166 NZ LYS A 76 -15.001 7.437 -6.262 1.00 0.00 N ATOM 0 H LYS A 76 -9.227 5.584 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.371 5.863 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.134 6.493 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.979 5.070 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.043 6.307 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.071 7.715 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.906 6.603 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.329 5.720 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.685 8.494 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.162 8.413 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.561 8.286 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.948 6.833 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.455 6.911 -5.488 1.00 0.00 H new ATOM 1180 N THR A 77 -11.501 3.182 -1.363 1.00 0.00 N ATOM 1181 CA THR A 77 -12.115 1.868 -1.221 1.00 0.00 C ATOM 1182 C THR A 77 -12.775 1.714 0.144 1.00 0.00 C ATOM 1183 O THR A 77 -13.973 1.447 0.239 1.00 0.00 O ATOM 1184 CB THR A 77 -11.080 0.742 -1.409 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.927 1.245 -2.092 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.677 -0.415 -2.196 1.00 0.00 C ATOM 0 H THR A 77 -11.034 3.522 -0.522 1.00 0.00 H new ATOM 0 HA THR A 77 -12.874 1.788 -1.999 1.00 0.00 H new ATOM 0 HB THR A 77 -10.788 0.379 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.379 1.766 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.928 -1.198 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.537 -0.815 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.994 -0.062 -3.177 1.00 0.00 H new ATOM 1194 N LEU A 78 -11.986 1.884 1.199 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.495 1.765 2.562 1.00 0.00 C ATOM 1196 C LEU A 78 -13.050 3.097 3.054 1.00 0.00 C ATOM 1197 O LEU A 78 -12.860 4.135 2.419 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.388 1.282 3.500 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.466 -0.182 3.934 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.188 -0.597 4.646 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -12.675 -0.409 4.829 1.00 0.00 C ATOM 0 H LEU A 78 -10.992 2.105 1.138 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.304 1.035 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.428 1.444 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.399 1.906 4.394 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.578 -0.800 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.262 -1.642 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.340 -0.473 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.045 0.026 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.715 -1.456 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.594 0.219 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.584 -0.153 4.285 1.00 0.00 H new ATOM 1213 N THR A 79 -13.736 3.062 4.193 1.00 0.00 N ATOM 1214 CA THR A 79 -14.318 4.266 4.772 1.00 0.00 C ATOM 1215 C THR A 79 -13.945 4.405 6.243 1.00 0.00 C ATOM 1216 O THR A 79 -13.619 3.420 6.906 1.00 0.00 O ATOM 1217 CB THR A 79 -15.853 4.268 4.640 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.432 5.077 5.670 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.405 2.853 4.731 1.00 0.00 C ATOM 0 H THR A 79 -13.902 2.212 4.732 1.00 0.00 H new ATOM 0 HA THR A 79 -13.912 5.111 4.216 1.00 0.00 H new ATOM 0 HB THR A 79 -16.111 4.681 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.408 5.075 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.490 2.879 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.984 2.246 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.136 2.419 5.694 1.00 0.00 H new ATOM 1227 N VAL A 80 -13.996 5.633 6.749 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.665 5.899 8.144 1.00 0.00 C ATOM 1229 C VAL A 80 -14.504 5.039 9.082 1.00 0.00 C ATOM 1230 O VAL A 80 -14.063 4.679 10.172 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.878 7.383 8.497 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -12.702 8.221 8.018 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -15.183 7.891 7.901 1.00 0.00 C ATOM 0 H VAL A 80 -14.263 6.459 6.214 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.612 5.650 8.273 1.00 0.00 H new ATOM 0 HB VAL A 80 -13.940 7.474 9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -12.871 9.266 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.787 7.872 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.604 8.126 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.317 8.941 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.153 7.786 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.015 7.310 8.299 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.719 4.713 8.649 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.601 3.897 9.463 1.00 0.00 C ATOM 1245 C GLY A 81 -16.076 2.488 9.653 1.00 0.00 C ATOM 1246 O GLY A 81 -16.068 1.966 10.768 1.00 0.00 O ATOM 0 H GLY A 81 -16.107 4.999 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.730 4.368 10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.585 3.855 8.997 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.637 1.869 8.562 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.109 0.511 8.614 1.00 0.00 C ATOM 1252 C ASP A 82 -13.923 0.425 9.569 1.00 0.00 C ATOM 1253 O ASP A 82 -13.842 -0.484 10.394 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.688 0.051 7.217 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.422 -1.199 6.773 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -14.813 -2.024 6.060 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -16.606 -1.353 7.139 1.00 0.00 O ATOM 0 H ASP A 82 -15.637 2.286 7.631 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.898 -0.145 8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.876 0.852 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.615 -0.139 7.208 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.004 1.378 9.450 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.823 1.411 10.304 1.00 0.00 C ATOM 1264 C ALA A 83 -12.203 1.676 11.757 1.00 0.00 C ATOM 1265 O ALA A 83 -11.572 1.156 12.679 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.845 2.467 9.812 1.00 0.00 C ATOM 0 H ALA A 83 -13.055 2.137 8.771 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.342 0.434 10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.968 2.480 10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.540 2.233 8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.325 3.445 9.832 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.236 2.487 11.955 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.700 2.821 13.297 1.00 0.00 C ATOM 1274 C LEU A 84 -14.368 1.619 13.957 1.00 0.00 C ATOM 1275 O LEU A 84 -14.042 1.256 15.087 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.678 3.996 13.242 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.575 5.008 14.383 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -14.980 4.368 15.702 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -13.164 5.571 14.472 1.00 0.00 C ATOM 0 H LEU A 84 -13.768 2.926 11.203 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.834 3.105 13.894 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.528 4.524 12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.693 3.598 13.226 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.260 5.830 14.176 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -14.900 5.103 16.503 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.009 4.015 15.634 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -14.321 3.526 15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.110 6.290 15.290 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.459 4.760 14.655 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.911 6.068 13.535 1.00 0.00 H new ATOM 1291 N LYS A 85 -15.305 1.004 13.243 1.00 0.00 N ATOM 1292 CA LYS A 85 -16.018 -0.160 13.757 1.00 0.00 C ATOM 1293 C LYS A 85 -15.048 -1.292 14.081 1.00 0.00 C ATOM 1294 O LYS A 85 -15.158 -1.935 15.125 1.00 0.00 O ATOM 1295 CB LYS A 85 -17.055 -0.639 12.738 1.00 0.00 C ATOM 1296 CG LYS A 85 -17.661 -1.990 13.077 1.00 0.00 C ATOM 1297 CD LYS A 85 -17.056 -3.099 12.233 1.00 0.00 C ATOM 1298 CE LYS A 85 -17.435 -4.473 12.764 1.00 0.00 C ATOM 1299 NZ LYS A 85 -18.274 -5.231 11.794 1.00 0.00 N ATOM 0 H LYS A 85 -15.588 1.292 12.307 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.528 0.133 14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.853 0.101 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.587 -0.696 11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.501 -2.207 14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.739 -1.957 12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.396 -3.000 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.971 -2.999 12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.530 -5.040 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.976 -4.363 13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.511 -6.162 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.149 -4.702 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.748 -5.359 10.906 1.00 0.00 H new ATOM 1313 N GLN A 86 -14.100 -1.530 13.181 1.00 0.00 N ATOM 1314 CA GLN A 86 -13.111 -2.584 13.373 1.00 0.00 C ATOM 1315 C GLN A 86 -12.114 -2.203 14.462 1.00 0.00 C ATOM 1316 O GLN A 86 -11.701 -3.043 15.261 1.00 0.00 O ATOM 1317 CB GLN A 86 -12.372 -2.864 12.064 1.00 0.00 C ATOM 1318 CG GLN A 86 -13.262 -3.440 10.974 1.00 0.00 C ATOM 1319 CD GLN A 86 -12.481 -3.859 9.744 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -11.325 -4.270 9.838 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -13.112 -3.757 8.579 1.00 0.00 N ATOM 0 H GLN A 86 -13.996 -1.007 12.311 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.636 -3.487 13.686 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.924 -1.938 11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.555 -3.559 12.259 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.801 -4.301 11.368 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.009 -2.699 10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.071 -3.411 8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.637 -4.025 7.717 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.730 -0.930 14.488 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.783 -0.461 15.482 1.00 0.00 C ATOM 1332 C GLY A 87 -9.379 -0.325 14.928 1.00 0.00 C ATOM 1333 O GLY A 87 -8.398 -0.507 15.649 1.00 0.00 O ATOM 0 H GLY A 87 -12.058 -0.216 13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.113 0.504 15.867 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.772 -1.153 16.324 1.00 0.00 H new ATOM 1337 N LYS A 88 -9.281 -0.004 13.642 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.987 0.156 12.989 1.00 0.00 C ATOM 1339 C LYS A 88 -7.352 1.493 13.361 1.00 0.00 C ATOM 1340 O LYS A 88 -6.130 1.602 13.464 1.00 0.00 O ATOM 1341 CB LYS A 88 -8.143 0.059 11.470 1.00 0.00 C ATOM 1342 CG LYS A 88 -9.027 -1.093 11.022 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.561 -2.414 11.610 1.00 0.00 C ATOM 1344 CE LYS A 88 -8.600 -3.529 10.576 1.00 0.00 C ATOM 1345 NZ LYS A 88 -7.235 -4.012 10.230 1.00 0.00 N ATOM 0 H LYS A 88 -10.083 0.151 13.031 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.333 -0.646 13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.561 0.994 11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.157 -0.053 11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.057 -0.902 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.021 -1.156 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.546 -2.306 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.193 -2.680 12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.193 -4.359 10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.098 -3.171 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.272 -4.549 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.597 -3.198 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.881 -4.627 10.990 1.00 0.00 H new ATOM 1359 N ILE A 89 -8.189 2.505 13.562 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.709 3.832 13.925 1.00 0.00 C ATOM 1361 C ILE A 89 -7.826 4.067 15.427 1.00 0.00 C ATOM 1362 O ILE A 89 -8.921 4.034 15.987 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.486 4.935 13.182 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -9.006 4.408 11.843 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.602 6.155 12.970 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.713 5.458 11.015 1.00 0.00 C ATOM 0 H ILE A 89 -9.203 2.431 13.480 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.660 3.879 13.633 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.340 5.231 13.791 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.170 4.007 11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.691 3.581 12.028 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.165 6.926 12.444 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.276 6.540 13.936 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.731 5.875 12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.055 5.014 10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.569 5.842 11.569 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.025 6.275 10.799 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.689 4.307 16.074 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.665 4.550 17.511 1.00 0.00 C ATOM 1380 C GLU A 90 -6.761 6.042 17.813 1.00 0.00 C ATOM 1381 O GLU A 90 -6.301 6.876 17.032 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.387 3.975 18.126 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.450 3.834 19.638 1.00 0.00 C ATOM 1384 CD GLU A 90 -6.473 2.809 20.087 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -6.324 1.624 19.721 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -7.422 3.190 20.803 1.00 0.00 O ATOM 0 H GLU A 90 -5.773 4.338 15.625 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.528 4.052 17.952 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.190 2.997 17.686 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.547 4.618 17.864 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.467 3.549 20.014 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.692 4.801 20.079 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.363 6.372 18.951 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.521 7.764 19.357 1.00 0.00 C ATOM 1395 C LEU A 91 -6.695 8.065 20.604 1.00 0.00 C ATOM 1396 O LEU A 91 -6.261 7.153 21.308 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.995 8.075 19.621 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.872 6.885 20.012 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -9.406 6.289 21.331 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -11.332 7.306 20.101 1.00 0.00 C ATOM 0 H LEU A 91 -7.749 5.695 19.608 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.162 8.396 18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.052 8.819 20.415 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.415 8.532 18.725 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.781 6.121 19.240 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.042 5.443 21.593 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.374 5.951 21.233 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.467 7.045 22.114 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.942 6.447 20.380 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.440 8.088 20.853 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.661 7.685 19.134 1.00 0.00 H new ATOM 1412 N SER A 92 -6.485 9.349 20.873 1.00 0.00 N ATOM 1413 CA SER A 92 -5.710 9.770 22.035 1.00 0.00 C ATOM 1414 C SER A 92 -5.765 11.285 22.204 1.00 0.00 C ATOM 1415 O SER A 92 -6.068 12.016 21.262 1.00 0.00 O ATOM 1416 CB SER A 92 -4.257 9.313 21.898 1.00 0.00 C ATOM 1417 OG SER A 92 -3.589 9.356 23.147 1.00 0.00 O ATOM 0 H SER A 92 -6.840 10.116 20.303 1.00 0.00 H new ATOM 0 HA SER A 92 -6.147 9.307 22.920 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.228 8.298 21.501 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.738 9.950 21.182 1.00 0.00 H new ATOM 0 HG SER A 92 -2.663 9.058 23.033 1.00 0.00 H new ATOM 1423 N GLY A 93 -5.469 11.750 23.414 1.00 0.00 N ATOM 1424 CA GLY A 93 -5.491 13.176 23.687 1.00 0.00 C ATOM 1425 C GLY A 93 -6.896 13.744 23.690 1.00 0.00 C ATOM 1426 O GLY A 93 -7.713 13.392 24.540 1.00 0.00 O ATOM 0 H GLY A 93 -5.214 11.165 24.210 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.024 13.365 24.654 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.894 13.696 22.938 1.00 0.00 H new ATOM 1430 N ASP A 94 -7.177 14.627 22.738 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.493 15.247 22.635 1.00 0.00 C ATOM 1432 C ASP A 94 -9.411 14.424 21.736 1.00 0.00 C ATOM 1433 O ASP A 94 -9.756 14.846 20.632 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.368 16.671 22.091 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.320 17.710 23.194 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -9.397 18.089 23.699 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.205 18.142 23.553 1.00 0.00 O ATOM 0 H ASP A 94 -6.511 14.929 22.027 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.930 15.285 23.633 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.465 16.747 21.485 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.212 16.881 21.434 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.803 13.249 22.216 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.682 12.368 21.457 1.00 0.00 C ATOM 1444 C ALA A 95 -11.840 13.146 20.841 1.00 0.00 C ATOM 1445 O ALA A 95 -12.274 12.852 19.727 1.00 0.00 O ATOM 1446 CB ALA A 95 -11.208 11.252 22.347 1.00 0.00 C ATOM 0 H ALA A 95 -9.526 12.885 23.127 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.102 11.928 20.646 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.863 10.602 21.767 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.371 10.671 22.735 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.767 11.682 23.178 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.335 14.138 21.572 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.443 14.958 21.097 1.00 0.00 C ATOM 1454 C ASP A 96 -13.151 15.513 19.706 1.00 0.00 C ATOM 1455 O ASP A 96 -13.992 15.445 18.809 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.711 16.105 22.072 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.172 16.200 22.468 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.756 17.295 22.325 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.730 15.179 22.919 1.00 0.00 O ATOM 0 H ASP A 96 -11.987 14.394 22.496 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.330 14.328 21.038 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.104 15.967 22.966 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.399 17.045 21.617 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.954 16.064 19.535 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.551 16.633 18.253 1.00 0.00 C ATOM 1466 C LEU A 97 -11.590 15.578 17.152 1.00 0.00 C ATOM 1467 O LEU A 97 -12.226 15.770 16.117 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.144 17.226 18.357 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.065 18.750 18.463 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.454 19.161 19.793 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.262 19.324 17.304 1.00 0.00 C ATOM 0 H LEU A 97 -11.246 16.129 20.267 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.255 17.424 17.997 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.653 16.795 19.230 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.573 16.912 17.483 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.077 19.152 18.412 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.406 20.248 19.851 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.069 18.781 20.609 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.448 18.748 19.874 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.216 20.409 17.395 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.252 18.915 17.323 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.742 19.059 16.362 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.907 14.462 17.385 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.867 13.374 16.416 1.00 0.00 C ATOM 1485 C ALA A 98 -12.264 12.819 16.156 1.00 0.00 C ATOM 1486 O ALA A 98 -12.554 12.328 15.066 1.00 0.00 O ATOM 1487 CB ALA A 98 -9.939 12.270 16.899 1.00 0.00 C ATOM 0 H ALA A 98 -10.374 14.288 18.237 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.482 13.771 15.477 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.919 11.464 16.165 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.933 12.670 17.026 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.299 11.883 17.853 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.124 12.898 17.166 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.490 12.405 17.047 1.00 0.00 C ATOM 1495 C ALA A 99 -15.174 12.977 15.809 1.00 0.00 C ATOM 1496 O ALA A 99 -16.038 12.334 15.211 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.286 12.746 18.297 1.00 0.00 C ATOM 0 H ALA A 99 -12.898 13.299 18.076 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.450 11.321 16.940 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.304 12.371 18.193 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.816 12.284 19.165 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.309 13.828 18.430 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.784 14.189 15.430 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.358 14.848 14.264 1.00 0.00 C ATOM 1505 C LYS A 100 -15.198 13.985 13.017 1.00 0.00 C ATOM 1506 O LYS A 100 -16.006 14.058 12.090 1.00 0.00 O ATOM 1507 CB LYS A 100 -14.695 16.209 14.043 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.370 17.344 14.795 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.231 17.177 16.298 1.00 0.00 C ATOM 1510 CE LYS A 100 -16.477 16.551 16.907 1.00 0.00 C ATOM 1511 NZ LYS A 100 -17.208 17.509 17.782 1.00 0.00 N ATOM 0 H LYS A 100 -14.072 14.735 15.914 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.422 14.995 14.449 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.651 16.150 14.352 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.700 16.437 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -14.931 18.294 14.491 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.426 17.381 14.528 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.365 16.553 16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.049 18.148 16.758 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.138 16.209 16.111 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -16.196 15.672 17.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.050 17.045 18.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.586 17.816 18.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.499 18.337 17.224 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.151 13.167 13.000 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.886 12.287 11.866 1.00 0.00 C ATOM 1527 C LEU A 101 -14.742 11.027 11.942 1.00 0.00 C ATOM 1528 O LEU A 101 -15.481 10.710 11.011 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.404 11.909 11.825 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.413 13.073 11.877 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.047 12.590 12.341 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.308 13.745 10.516 1.00 0.00 C ATOM 0 H LEU A 101 -13.472 13.095 13.758 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.144 12.824 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.196 11.243 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.219 11.341 10.913 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.780 13.806 12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.355 13.431 12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.134 12.155 13.337 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.672 11.837 11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.599 14.571 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.964 13.020 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.286 14.126 10.222 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.638 10.314 13.059 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.406 9.092 13.259 1.00 0.00 C ATOM 1546 C ALA A 102 -16.902 9.356 13.132 1.00 0.00 C ATOM 1547 O ALA A 102 -17.620 8.604 12.473 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.088 8.485 14.618 1.00 0.00 C ATOM 0 H ALA A 102 -14.029 10.562 13.839 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.122 8.383 12.481 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.669 7.573 14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.025 8.250 14.672 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.342 9.197 15.403 1.00 0.00 H new ATOM 1554 N GLU A 103 -17.365 10.428 13.767 1.00 0.00 N ATOM 1555 CA GLU A 103 -18.777 10.789 13.726 1.00 0.00 C ATOM 1556 C GLU A 103 -19.285 10.836 12.288 1.00 0.00 C ATOM 1557 O GLU A 103 -20.449 10.540 12.018 1.00 0.00 O ATOM 1558 CB GLU A 103 -19.000 12.144 14.401 1.00 0.00 C ATOM 1559 CG GLU A 103 -18.553 13.326 13.557 1.00 0.00 C ATOM 1560 CD GLU A 103 -19.688 13.933 12.756 1.00 0.00 C ATOM 1561 OE1 GLU A 103 -20.796 14.078 13.314 1.00 0.00 O ATOM 1562 OE2 GLU A 103 -19.470 14.263 11.571 1.00 0.00 O ATOM 0 H GLU A 103 -16.783 11.061 14.316 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.336 10.025 14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.059 12.254 14.634 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.462 12.161 15.349 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.123 14.089 14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.765 13.004 12.877 1.00 0.00 H new ATOM 1569 N VAL A 104 -18.402 11.210 11.366 1.00 0.00 N ATOM 1570 CA VAL A 104 -18.760 11.295 9.955 1.00 0.00 C ATOM 1571 C VAL A 104 -19.370 9.988 9.463 1.00 0.00 C ATOM 1572 O VAL A 104 -20.113 9.969 8.482 1.00 0.00 O ATOM 1573 CB VAL A 104 -17.535 11.638 9.086 1.00 0.00 C ATOM 1574 CG1 VAL A 104 -17.939 11.781 7.627 1.00 0.00 C ATOM 1575 CG2 VAL A 104 -16.863 12.906 9.589 1.00 0.00 C ATOM 0 H VAL A 104 -17.434 11.459 11.571 1.00 0.00 H new ATOM 0 HA VAL A 104 -19.497 12.093 9.862 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.818 10.821 9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -17.061 12.023 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.371 10.844 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -18.676 12.579 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.000 13.133 8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -17.570 13.734 9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.537 12.761 10.619 1.00 0.00 H new ATOM 1585 N ILE A 105 -19.050 8.897 10.151 1.00 0.00 N ATOM 1586 CA ILE A 105 -19.568 7.584 9.784 1.00 0.00 C ATOM 1587 C ILE A 105 -21.082 7.623 9.599 1.00 0.00 C ATOM 1588 O ILE A 105 -21.636 6.892 8.777 1.00 0.00 O ATOM 1589 CB ILE A 105 -19.219 6.524 10.845 1.00 0.00 C ATOM 1590 CG1 ILE A 105 -19.627 5.132 10.360 1.00 0.00 C ATOM 1591 CG2 ILE A 105 -19.901 6.852 12.165 1.00 0.00 C ATOM 1592 CD1 ILE A 105 -19.211 4.020 11.297 1.00 0.00 C ATOM 0 H ILE A 105 -18.435 8.896 10.965 1.00 0.00 H new ATOM 0 HA ILE A 105 -19.095 7.311 8.841 1.00 0.00 H new ATOM 0 HB ILE A 105 -18.141 6.531 11.004 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -20.709 5.103 10.233 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -19.186 4.954 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -19.645 6.094 12.905 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -19.566 7.828 12.515 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -20.981 6.869 12.022 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -19.533 3.062 10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -18.126 4.022 11.405 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -19.673 4.174 12.272 1.00 0.00 H new ATOM 1604 N HIS A 106 -21.745 8.482 10.366 1.00 0.00 N ATOM 1605 CA HIS A 106 -23.195 8.618 10.285 1.00 0.00 C ATOM 1606 C HIS A 106 -23.888 7.373 10.831 1.00 0.00 C ATOM 1607 O HIS A 106 -24.424 7.384 11.940 1.00 0.00 O ATOM 1608 CB HIS A 106 -23.625 8.864 8.839 1.00 0.00 C ATOM 1609 CG HIS A 106 -24.241 10.211 8.618 1.00 0.00 C ATOM 1610 ND1 HIS A 106 -25.538 10.384 8.183 1.00 0.00 N ATOM 1611 CD2 HIS A 106 -23.730 11.455 8.776 1.00 0.00 C ATOM 1612 CE1 HIS A 106 -25.797 11.675 8.082 1.00 0.00 C ATOM 1613 NE2 HIS A 106 -24.717 12.347 8.436 1.00 0.00 N ATOM 0 H HIS A 106 -21.302 9.094 11.051 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.490 9.473 10.893 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -22.757 8.759 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -24.339 8.095 8.545 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -22.732 11.700 9.108 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -26.734 12.108 7.764 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -24.630 13.363 8.454 1.00 0.00 H new ATOM 1621 N HIS A 107 -23.876 6.302 10.044 1.00 0.00 N ATOM 1622 CA HIS A 107 -24.504 5.049 10.448 1.00 0.00 C ATOM 1623 C HIS A 107 -26.011 5.226 10.614 1.00 0.00 C ATOM 1624 O HIS A 107 -26.472 5.831 11.582 1.00 0.00 O ATOM 1625 CB HIS A 107 -23.891 4.545 11.754 1.00 0.00 C ATOM 1626 CG HIS A 107 -23.969 3.058 11.918 1.00 0.00 C ATOM 1627 ND1 HIS A 107 -23.453 2.172 10.997 1.00 0.00 N ATOM 1628 CD2 HIS A 107 -24.507 2.303 12.905 1.00 0.00 C ATOM 1629 CE1 HIS A 107 -23.670 0.935 11.409 1.00 0.00 C ATOM 1630 NE2 HIS A 107 -24.308 0.988 12.565 1.00 0.00 N ATOM 0 H HIS A 107 -23.438 6.277 9.123 1.00 0.00 H new ATOM 0 HA HIS A 107 -24.326 4.312 9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -22.846 4.853 11.798 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -24.399 5.022 12.592 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -25.001 2.667 13.794 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -23.376 0.035 10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -24.605 0.182 13.116 1.00 0.00 H new ATOM 1638 N HIS A 108 -26.772 4.695 9.663 1.00 0.00 N ATOM 1639 CA HIS A 108 -28.227 4.794 9.704 1.00 0.00 C ATOM 1640 C HIS A 108 -28.850 3.472 10.143 1.00 0.00 C ATOM 1641 O HIS A 108 -28.143 2.501 10.415 1.00 0.00 O ATOM 1642 CB HIS A 108 -28.771 5.196 8.332 1.00 0.00 C ATOM 1643 CG HIS A 108 -29.503 6.502 8.338 1.00 0.00 C ATOM 1644 ND1 HIS A 108 -28.948 7.675 8.805 1.00 0.00 N ATOM 1645 CD2 HIS A 108 -30.754 6.817 7.928 1.00 0.00 C ATOM 1646 CE1 HIS A 108 -29.826 8.654 8.684 1.00 0.00 C ATOM 1647 NE2 HIS A 108 -30.931 8.160 8.154 1.00 0.00 N ATOM 0 H HIS A 108 -26.406 4.192 8.855 1.00 0.00 H new ATOM 0 HA HIS A 108 -28.493 5.561 10.432 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -27.943 5.256 7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -29.441 4.415 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -31.478 6.138 7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.668 9.683 8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -31.778 8.690 7.947 1.00 0.00 H new ATOM 1655 N HIS A 109 -30.177 3.442 10.211 1.00 0.00 N ATOM 1656 CA HIS A 109 -30.894 2.239 10.618 1.00 0.00 C ATOM 1657 C HIS A 109 -30.535 1.061 9.718 1.00 0.00 C ATOM 1658 O HIS A 109 -30.896 1.033 8.541 1.00 0.00 O ATOM 1659 CB HIS A 109 -32.403 2.483 10.580 1.00 0.00 C ATOM 1660 CG HIS A 109 -33.194 1.459 11.335 1.00 0.00 C ATOM 1661 ND1 HIS A 109 -33.356 0.161 10.898 1.00 0.00 N ATOM 1662 CD2 HIS A 109 -33.870 1.548 12.504 1.00 0.00 C ATOM 1663 CE1 HIS A 109 -34.098 -0.504 11.765 1.00 0.00 C ATOM 1664 NE2 HIS A 109 -34.423 0.315 12.749 1.00 0.00 N ATOM 0 H HIS A 109 -30.777 4.236 9.990 1.00 0.00 H new ATOM 0 HA HIS A 109 -30.597 1.997 11.639 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -32.614 3.470 10.992 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -32.735 2.494 9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -33.958 2.425 13.128 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -34.389 -1.541 11.683 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -34.992 0.071 13.559 1.00 0.00 H new ATOM 1672 N HIS A 110 -29.820 0.091 10.278 1.00 0.00 N ATOM 1673 CA HIS A 110 -29.411 -1.090 9.526 1.00 0.00 C ATOM 1674 C HIS A 110 -28.524 -0.702 8.346 1.00 0.00 C ATOM 1675 O HIS A 110 -29.015 -0.443 7.247 1.00 0.00 O ATOM 1676 CB HIS A 110 -30.639 -1.853 9.027 1.00 0.00 C ATOM 1677 CG HIS A 110 -30.884 -3.136 9.759 1.00 0.00 C ATOM 1678 ND1 HIS A 110 -32.134 -3.530 10.190 1.00 0.00 N ATOM 1679 CD2 HIS A 110 -30.032 -4.119 10.134 1.00 0.00 C ATOM 1680 CE1 HIS A 110 -32.039 -4.698 10.799 1.00 0.00 C ATOM 1681 NE2 HIS A 110 -30.774 -5.077 10.779 1.00 0.00 N ATOM 0 H HIS A 110 -29.512 0.099 11.250 1.00 0.00 H new ATOM 0 HA HIS A 110 -28.838 -1.735 10.192 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -31.517 -1.215 9.124 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -30.517 -2.067 7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -28.967 -4.145 9.958 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -32.857 -5.250 11.239 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -30.408 -5.941 11.178 1.00 0.00 H new ATOM 1689 N HIS A 111 -27.217 -0.664 8.583 1.00 0.00 N ATOM 1690 CA HIS A 111 -26.262 -0.307 7.540 1.00 0.00 C ATOM 1691 C HIS A 111 -26.641 1.017 6.885 1.00 0.00 C ATOM 1692 O HIS A 111 -26.013 1.444 5.916 1.00 0.00 O ATOM 1693 CB HIS A 111 -26.193 -1.410 6.483 1.00 0.00 C ATOM 1694 CG HIS A 111 -24.797 -1.861 6.178 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -23.704 -1.024 6.250 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -24.320 -3.069 5.800 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -22.614 -1.698 5.927 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -22.961 -2.942 5.650 1.00 0.00 N ATOM 0 H HIS A 111 -26.795 -0.876 9.487 1.00 0.00 H new ATOM 0 HA HIS A 111 -25.282 -0.195 8.003 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -26.776 -2.266 6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -26.659 -1.052 5.565 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -24.900 -3.967 5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -21.611 -1.300 5.895 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -22.323 -3.687 5.370 1.00 0.00 H new TER 1706 HIS A 111