USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -154:sc= 1.31 USER MOD Single : A 3 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 4 MET CE :methyl -135:sc= -0.187 (180deg=-0.656) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= 1.3 (180deg=1.14) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.12) USER MOD Single : A 11 TYR OH : rot 27:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.587) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 21 SER OG : rot -76:sc= 1.11 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.02) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.531 F(o=-1.2,f=-0.53) USER MOD Single : A 37 TYR OH : rot -94:sc= 1.3 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 0.541 (180deg=0.117) USER MOD Single : A 46 MET CE :methyl -151:sc= 0 (180deg=-0.971) USER MOD Single : A 48 MET CE :methyl -119:sc= -0.153 (180deg=-2.25) USER MOD Single : A 50 SER OG : rot -96:sc= 1.04 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0332 F(o=-0.81,f=-0.033) USER MOD Single : A 61 MET CE :methyl 179:sc=-0.00493 (180deg=-0.00905) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0089 X(o=-0.0089,f=-0.016) USER MOD Single : A 66 LYS NZ :NH3+ -125:sc= 1.14 (180deg=-0.497) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 0.737 (180deg=0.663) USER MOD Single : B 12 TYR OH : rot 100:sc= 0.973 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.499 3.197 -5.172 1.00 10.00 N ATOM 9 CA SER A 2 -17.046 3.753 -3.909 1.00 10.00 C ATOM 10 C SER A 2 -16.906 5.268 -4.007 1.00 10.00 C ATOM 11 O SER A 2 -16.421 5.795 -5.011 1.00 10.00 O ATOM 12 CB SER A 2 -15.712 3.121 -3.506 1.00 10.00 C ATOM 13 OG SER A 2 -15.368 3.443 -2.167 1.00 10.00 O ATOM 0 HA SER A 2 -17.789 3.527 -3.144 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.773 2.038 -3.617 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.926 3.467 -4.178 1.00 10.00 H new ATOM 0 HG SER A 2 -14.395 3.399 -2.060 1.00 10.00 H new ATOM 19 N HIS A 3 -17.339 5.966 -2.965 1.00 10.00 N ATOM 20 CA HIS A 3 -17.255 7.419 -2.931 1.00 10.00 C ATOM 21 C HIS A 3 -15.964 7.858 -2.249 1.00 10.00 C ATOM 22 O HIS A 3 -15.808 9.019 -1.873 1.00 10.00 O ATOM 23 CB HIS A 3 -18.464 8.018 -2.201 1.00 10.00 C ATOM 24 CG HIS A 3 -19.738 7.974 -2.988 1.00 10.00 C ATOM 25 ND1 HIS A 3 -20.931 8.396 -2.447 1.00 10.00 N ATOM 26 CD2 HIS A 3 -19.955 7.554 -4.260 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.838 8.224 -3.395 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.291 7.716 -4.505 1.00 10.00 N ATOM 0 H HIS A 3 -17.752 5.548 -2.131 1.00 10.00 H new ATOM 0 HA HIS A 3 -17.256 7.784 -3.958 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.610 7.482 -1.263 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -18.243 9.054 -1.945 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.216 7.167 -4.946 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -22.886 8.463 -3.286 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.779 7.491 -5.372 1.00 10.00 H new ATOM 36 N MET A 4 -15.044 6.921 -2.089 1.00 10.00 N ATOM 37 CA MET A 4 -13.767 7.200 -1.455 1.00 10.00 C ATOM 38 C MET A 4 -12.667 7.303 -2.503 1.00 10.00 C ATOM 39 O MET A 4 -12.911 7.113 -3.698 1.00 10.00 O ATOM 40 CB MET A 4 -13.422 6.100 -0.447 1.00 10.00 C ATOM 41 CG MET A 4 -14.414 5.984 0.699 1.00 10.00 C ATOM 42 SD MET A 4 -14.557 7.512 1.649 1.00 10.00 S ATOM 43 CE MET A 4 -12.883 7.693 2.268 1.00 10.00 C ATOM 0 H MET A 4 -15.160 5.954 -2.392 1.00 10.00 H new ATOM 0 HA MET A 4 -13.844 8.151 -0.929 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.371 5.145 -0.969 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.430 6.293 -0.038 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.393 5.714 0.302 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.105 5.176 1.362 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.913 7.958 3.325 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.346 6.753 2.145 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.372 8.478 1.711 1.00 10.00 H new ATOM 53 N ALA A 5 -11.464 7.617 -2.058 1.00 10.00 N ATOM 54 CA ALA A 5 -10.330 7.732 -2.956 1.00 10.00 C ATOM 55 C ALA A 5 -9.630 6.386 -3.098 1.00 10.00 C ATOM 56 O ALA A 5 -9.500 5.640 -2.127 1.00 10.00 O ATOM 57 CB ALA A 5 -9.358 8.789 -2.454 1.00 10.00 C ATOM 0 H ALA A 5 -11.247 7.797 -1.078 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.693 8.039 -3.937 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.514 8.862 -3.140 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.865 9.752 -2.399 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.998 8.511 -1.463 1.00 10.00 H new ATOM 63 N THR A 6 -9.191 6.068 -4.302 1.00 10.00 N ATOM 64 CA THR A 6 -8.505 4.811 -4.542 1.00 10.00 C ATOM 65 C THR A 6 -7.019 5.064 -4.778 1.00 10.00 C ATOM 66 O THR A 6 -6.644 5.860 -5.640 1.00 10.00 O ATOM 67 CB THR A 6 -9.116 4.057 -5.739 1.00 10.00 C ATOM 68 OG1 THR A 6 -10.397 4.620 -6.067 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.290 2.581 -5.412 1.00 10.00 C ATOM 0 H THR A 6 -9.296 6.660 -5.126 1.00 10.00 H new ATOM 0 HA THR A 6 -8.626 4.185 -3.658 1.00 10.00 H new ATOM 0 HB THR A 6 -8.439 4.156 -6.588 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.780 4.138 -6.830 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.723 2.067 -6.270 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.320 2.143 -5.178 1.00 10.00 H new ATOM 0 HG23 THR A 6 -9.953 2.474 -4.553 1.00 10.00 H new ATOM 77 N VAL A 7 -6.178 4.397 -3.999 1.00 10.00 N ATOM 78 CA VAL A 7 -4.738 4.574 -4.105 1.00 10.00 C ATOM 79 C VAL A 7 -4.109 3.434 -4.895 1.00 10.00 C ATOM 80 O VAL A 7 -4.462 2.268 -4.711 1.00 10.00 O ATOM 81 CB VAL A 7 -4.078 4.648 -2.710 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.662 5.198 -2.811 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.917 5.491 -1.757 1.00 10.00 C ATOM 0 H VAL A 7 -6.470 3.728 -3.286 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.567 5.515 -4.628 1.00 10.00 H new ATOM 0 HB VAL A 7 -4.022 3.636 -2.308 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.217 5.241 -1.817 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -2.064 4.547 -3.449 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.690 6.200 -3.240 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.432 5.528 -0.781 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -5.013 6.502 -2.154 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.907 5.047 -1.653 1.00 10.00 H new ATOM 93 N LYS A 8 -3.192 3.777 -5.788 1.00 10.00 N ATOM 94 CA LYS A 8 -2.507 2.780 -6.595 1.00 10.00 C ATOM 95 C LYS A 8 -1.137 2.483 -6.001 1.00 10.00 C ATOM 96 O LYS A 8 -0.423 3.393 -5.585 1.00 10.00 O ATOM 97 CB LYS A 8 -2.376 3.251 -8.044 1.00 10.00 C ATOM 98 CG LYS A 8 -3.680 3.159 -8.820 1.00 10.00 C ATOM 99 CD LYS A 8 -3.461 3.329 -10.313 1.00 10.00 C ATOM 100 CE LYS A 8 -4.702 2.943 -11.106 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.458 2.969 -12.571 1.00 10.00 N ATOM 0 H LYS A 8 -2.906 4.739 -5.971 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.097 1.864 -6.592 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -2.026 4.283 -8.054 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.617 2.652 -8.548 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -4.149 2.194 -8.629 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.369 3.925 -8.464 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.198 4.365 -10.528 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.619 2.714 -10.631 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -5.025 1.945 -10.810 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.515 3.627 -10.862 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.148 2.354 -13.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -4.560 3.942 -12.923 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.495 2.629 -12.769 1.00 10.00 H new ATOM 115 N PHE A 9 -0.778 1.210 -5.956 1.00 10.00 N ATOM 116 CA PHE A 9 0.498 0.799 -5.391 1.00 10.00 C ATOM 117 C PHE A 9 1.271 -0.073 -6.367 1.00 10.00 C ATOM 118 O PHE A 9 0.715 -0.997 -6.964 1.00 10.00 O ATOM 119 CB PHE A 9 0.280 0.020 -4.091 1.00 10.00 C ATOM 120 CG PHE A 9 -0.385 0.813 -3.004 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.765 0.822 -2.878 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.372 1.539 -2.101 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.379 1.539 -1.871 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.237 2.260 -1.094 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.614 2.259 -0.977 1.00 10.00 C ATOM 0 H PHE A 9 -1.353 0.443 -6.304 1.00 10.00 H new ATOM 0 HA PHE A 9 1.074 1.701 -5.186 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.325 -0.861 -4.305 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.244 -0.336 -3.728 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.368 0.261 -3.577 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.449 1.541 -2.185 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.455 1.536 -1.783 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.363 2.826 -0.397 1.00 10.00 H new ATOM 0 HZ PHE A 9 -2.090 2.821 -0.187 1.00 10.00 H new ATOM 135 N LYS A 10 2.549 0.232 -6.539 1.00 10.00 N ATOM 136 CA LYS A 10 3.406 -0.547 -7.418 1.00 10.00 C ATOM 137 C LYS A 10 3.989 -1.722 -6.635 1.00 10.00 C ATOM 138 O LYS A 10 5.152 -1.704 -6.222 1.00 10.00 O ATOM 139 CB LYS A 10 4.519 0.326 -8.002 1.00 10.00 C ATOM 140 CG LYS A 10 5.339 -0.362 -9.081 1.00 10.00 C ATOM 141 CD LYS A 10 6.391 0.574 -9.648 1.00 10.00 C ATOM 142 CE LYS A 10 7.399 -0.166 -10.515 1.00 10.00 C ATOM 143 NZ LYS A 10 8.578 0.683 -10.830 1.00 10.00 N ATOM 0 H LYS A 10 3.015 1.015 -6.080 1.00 10.00 H new ATOM 0 HA LYS A 10 2.817 -0.929 -8.252 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.077 1.232 -8.417 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.184 0.637 -7.196 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.821 -1.248 -8.667 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.681 -0.702 -9.881 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.906 1.351 -10.238 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.912 1.073 -8.831 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.727 -1.070 -10.001 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.920 -0.482 -11.442 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.370 0.080 -11.132 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.335 1.344 -11.595 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.855 1.220 -9.984 1.00 10.00 H new ATOM 157 N TYR A 11 3.159 -2.731 -6.423 1.00 10.00 N ATOM 158 CA TYR A 11 3.545 -3.917 -5.676 1.00 10.00 C ATOM 159 C TYR A 11 4.379 -4.859 -6.543 1.00 10.00 C ATOM 160 O TYR A 11 3.871 -5.463 -7.489 1.00 10.00 O ATOM 161 CB TYR A 11 2.287 -4.624 -5.140 1.00 10.00 C ATOM 162 CG TYR A 11 2.399 -6.130 -5.045 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.336 -6.729 -4.219 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.564 -6.951 -5.795 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.442 -8.099 -4.142 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.664 -8.325 -5.721 1.00 10.00 C ATOM 167 CZ TYR A 11 2.605 -8.895 -4.894 1.00 10.00 C ATOM 168 OH TYR A 11 2.720 -10.265 -4.812 1.00 10.00 O ATOM 0 H TYR A 11 2.198 -2.751 -6.764 1.00 10.00 H new ATOM 0 HA TYR A 11 4.164 -3.617 -4.831 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.058 -4.227 -4.151 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.445 -4.376 -5.786 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.994 -6.111 -3.626 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.826 -6.506 -6.446 1.00 10.00 H new ATOM 0 HE1 TYR A 11 4.179 -8.549 -3.494 1.00 10.00 H new ATOM 0 HE2 TYR A 11 1.008 -8.950 -6.309 1.00 10.00 H new ATOM 0 HH TYR A 11 3.078 -10.511 -3.934 1.00 10.00 H new ATOM 178 N LYS A 12 5.667 -4.952 -6.223 1.00 10.00 N ATOM 179 CA LYS A 12 6.602 -5.821 -6.944 1.00 10.00 C ATOM 180 C LYS A 12 6.590 -5.544 -8.450 1.00 10.00 C ATOM 181 O LYS A 12 6.856 -6.436 -9.256 1.00 10.00 O ATOM 182 CB LYS A 12 6.282 -7.295 -6.681 1.00 10.00 C ATOM 183 CG LYS A 12 6.963 -7.850 -5.442 1.00 10.00 C ATOM 184 CD LYS A 12 6.906 -9.367 -5.408 1.00 10.00 C ATOM 185 CE LYS A 12 7.959 -9.936 -4.475 1.00 10.00 C ATOM 186 NZ LYS A 12 8.019 -11.420 -4.541 1.00 10.00 N ATOM 0 H LYS A 12 6.095 -4.429 -5.458 1.00 10.00 H new ATOM 0 HA LYS A 12 7.602 -5.600 -6.570 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.203 -7.412 -6.576 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.584 -7.884 -7.547 1.00 10.00 H new ATOM 0 HG2 LYS A 12 8.003 -7.523 -5.420 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.483 -7.447 -4.550 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.917 -9.689 -5.083 1.00 10.00 H new ATOM 0 HD3 LYS A 12 7.056 -9.762 -6.413 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.934 -9.522 -4.733 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.742 -9.627 -3.452 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 8.751 -11.767 -3.889 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 7.097 -11.817 -4.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 8.251 -11.715 -5.511 1.00 10.00 H new ATOM 200 N GLY A 13 6.284 -4.307 -8.824 1.00 10.00 N ATOM 201 CA GLY A 13 6.236 -3.946 -10.229 1.00 10.00 C ATOM 202 C GLY A 13 4.824 -3.964 -10.788 1.00 10.00 C ATOM 203 O GLY A 13 4.557 -3.370 -11.832 1.00 10.00 O ATOM 0 H GLY A 13 6.068 -3.547 -8.179 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.662 -2.951 -10.360 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.858 -4.636 -10.799 1.00 10.00 H new ATOM 207 N GLU A 14 3.921 -4.637 -10.088 1.00 10.00 N ATOM 208 CA GLU A 14 2.531 -4.730 -10.512 1.00 10.00 C ATOM 209 C GLU A 14 1.742 -3.535 -9.998 1.00 10.00 C ATOM 210 O GLU A 14 1.916 -3.109 -8.858 1.00 10.00 O ATOM 211 CB GLU A 14 1.903 -6.029 -9.999 1.00 10.00 C ATOM 212 CG GLU A 14 0.463 -6.233 -10.451 1.00 10.00 C ATOM 213 CD GLU A 14 -0.107 -7.562 -10.004 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.499 -8.608 -10.320 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.168 -7.570 -9.347 1.00 10.00 O ATOM 0 H GLU A 14 4.128 -5.129 -9.219 1.00 10.00 H new ATOM 0 HA GLU A 14 2.502 -4.731 -11.602 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.504 -6.872 -10.339 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.937 -6.033 -8.910 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.155 -5.426 -10.057 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.415 -6.169 -11.538 1.00 10.00 H new ATOM 222 N GLU A 15 0.878 -2.999 -10.837 1.00 10.00 N ATOM 223 CA GLU A 15 0.072 -1.853 -10.465 1.00 10.00 C ATOM 224 C GLU A 15 -1.232 -2.296 -9.808 1.00 10.00 C ATOM 225 O GLU A 15 -2.188 -2.677 -10.490 1.00 10.00 O ATOM 226 CB GLU A 15 -0.220 -0.999 -11.696 1.00 10.00 C ATOM 227 CG GLU A 15 -0.838 0.350 -11.369 1.00 10.00 C ATOM 228 CD GLU A 15 -1.250 1.111 -12.608 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.361 1.545 -13.367 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.464 1.270 -12.829 1.00 10.00 O ATOM 0 H GLU A 15 0.716 -3.340 -11.784 1.00 10.00 H new ATOM 0 HA GLU A 15 0.631 -1.258 -9.743 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.708 -0.840 -12.246 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.892 -1.547 -12.356 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.709 0.202 -10.730 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.124 0.946 -10.801 1.00 10.00 H new ATOM 237 N LYS A 16 -1.263 -2.266 -8.486 1.00 10.00 N ATOM 238 CA LYS A 16 -2.454 -2.645 -7.744 1.00 10.00 C ATOM 239 C LYS A 16 -3.203 -1.399 -7.299 1.00 10.00 C ATOM 240 O LYS A 16 -2.631 -0.311 -7.247 1.00 10.00 O ATOM 241 CB LYS A 16 -2.096 -3.512 -6.533 1.00 10.00 C ATOM 242 CG LYS A 16 -1.868 -4.978 -6.876 1.00 10.00 C ATOM 243 CD LYS A 16 -2.280 -5.882 -5.724 1.00 10.00 C ATOM 244 CE LYS A 16 -2.020 -7.352 -6.025 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.736 -7.810 -7.246 1.00 10.00 N ATOM 0 H LYS A 16 -0.475 -1.982 -7.903 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.096 -3.234 -8.400 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.196 -3.113 -6.065 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.896 -3.440 -5.797 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.438 -5.239 -7.768 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.816 -5.140 -7.111 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.734 -5.595 -4.826 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.340 -5.738 -5.512 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.949 -7.511 -6.152 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.333 -7.956 -5.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.144 -8.751 -7.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.497 -7.139 -7.475 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.068 -7.860 -8.042 1.00 10.00 H new ATOM 259 N GLN A 17 -4.477 -1.554 -6.993 1.00 10.00 N ATOM 260 CA GLN A 17 -5.294 -0.434 -6.558 1.00 10.00 C ATOM 261 C GLN A 17 -6.101 -0.809 -5.323 1.00 10.00 C ATOM 262 O GLN A 17 -6.857 -1.779 -5.340 1.00 10.00 O ATOM 263 CB GLN A 17 -6.228 -0.002 -7.687 1.00 10.00 C ATOM 264 CG GLN A 17 -6.729 1.422 -7.556 1.00 10.00 C ATOM 265 CD GLN A 17 -7.622 1.831 -8.711 1.00 10.00 C ATOM 266 OE1 GLN A 17 -8.394 0.891 -9.238 1.00 10.00 O flip ATOM 267 NE2 GLN A 17 -7.626 2.989 -9.123 1.00 10.00 N flip ATOM 0 H GLN A 17 -4.971 -2.446 -7.037 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.638 0.398 -6.301 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.706 -0.107 -8.638 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.083 -0.677 -7.716 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.279 1.526 -6.621 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.877 2.100 -7.501 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.018 3.686 -8.692 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.237 3.253 -9.895 1.00 10.00 H new ATOM 276 N VAL A 18 -5.937 -0.042 -4.257 1.00 10.00 N ATOM 277 CA VAL A 18 -6.649 -0.302 -3.015 1.00 10.00 C ATOM 278 C VAL A 18 -7.387 0.947 -2.542 1.00 10.00 C ATOM 279 O VAL A 18 -6.853 2.056 -2.617 1.00 10.00 O ATOM 280 CB VAL A 18 -5.686 -0.775 -1.899 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.452 -1.145 -0.640 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.839 -1.950 -2.369 1.00 10.00 C ATOM 0 H VAL A 18 -5.316 0.767 -4.226 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.369 -1.095 -3.218 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.019 0.055 -1.664 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.752 -1.474 0.128 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.003 -0.276 -0.281 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.151 -1.951 -0.863 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.172 -2.262 -1.566 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.489 -2.781 -2.644 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.249 -1.650 -3.235 1.00 10.00 H new ATOM 292 N ASP A 19 -8.620 0.763 -2.085 1.00 10.00 N ATOM 293 CA ASP A 19 -9.432 1.866 -1.577 1.00 10.00 C ATOM 294 C ASP A 19 -8.819 2.394 -0.283 1.00 10.00 C ATOM 295 O ASP A 19 -8.406 1.611 0.575 1.00 10.00 O ATOM 296 CB ASP A 19 -10.868 1.389 -1.333 1.00 10.00 C ATOM 297 CG ASP A 19 -11.846 2.522 -1.061 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.561 3.369 -0.191 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.925 2.543 -1.692 1.00 10.00 O ATOM 0 H ASP A 19 -9.083 -0.145 -2.055 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.455 2.670 -2.313 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.208 0.827 -2.203 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.875 0.702 -0.487 1.00 10.00 H new ATOM 304 N ILE A 20 -8.768 3.714 -0.143 1.00 10.00 N ATOM 305 CA ILE A 20 -8.186 4.339 1.040 1.00 10.00 C ATOM 306 C ILE A 20 -8.952 3.971 2.314 1.00 10.00 C ATOM 307 O ILE A 20 -8.380 3.958 3.405 1.00 10.00 O ATOM 308 CB ILE A 20 -8.118 5.880 0.893 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.189 6.483 1.951 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.507 6.500 0.987 1.00 10.00 C ATOM 311 CD1 ILE A 20 -6.903 7.958 1.746 1.00 10.00 C ATOM 0 H ILE A 20 -9.123 4.373 -0.835 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.171 3.952 1.128 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.712 6.106 -0.093 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.635 6.343 2.935 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.246 5.936 1.947 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.430 7.582 0.881 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.138 6.101 0.193 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -9.947 6.261 1.955 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.239 8.313 2.534 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.427 8.105 0.777 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -7.838 8.518 1.780 1.00 10.00 H new ATOM 323 N SER A 21 -10.233 3.645 2.174 1.00 10.00 N ATOM 324 CA SER A 21 -11.047 3.283 3.325 1.00 10.00 C ATOM 325 C SER A 21 -10.830 1.820 3.701 1.00 10.00 C ATOM 326 O SER A 21 -11.182 1.391 4.799 1.00 10.00 O ATOM 327 CB SER A 21 -12.527 3.556 3.049 1.00 10.00 C ATOM 328 OG SER A 21 -12.975 2.874 1.891 1.00 10.00 O ATOM 0 H SER A 21 -10.725 3.624 1.281 1.00 10.00 H new ATOM 0 HA SER A 21 -10.738 3.901 4.168 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.121 3.245 3.908 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.683 4.628 2.924 1.00 10.00 H new ATOM 0 HG SER A 21 -12.655 3.342 1.092 1.00 10.00 H new ATOM 334 N LYS A 22 -10.228 1.059 2.791 1.00 10.00 N ATOM 335 CA LYS A 22 -9.960 -0.355 3.036 1.00 10.00 C ATOM 336 C LYS A 22 -8.599 -0.532 3.699 1.00 10.00 C ATOM 337 O LYS A 22 -8.292 -1.595 4.241 1.00 10.00 O ATOM 338 CB LYS A 22 -10.016 -1.147 1.728 1.00 10.00 C ATOM 339 CG LYS A 22 -11.426 -1.341 1.196 1.00 10.00 C ATOM 340 CD LYS A 22 -11.415 -1.984 -0.179 1.00 10.00 C ATOM 341 CE LYS A 22 -12.814 -2.097 -0.760 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.788 -2.451 -2.207 1.00 10.00 N ATOM 0 H LYS A 22 -9.917 1.396 1.880 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.729 -0.738 3.707 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.420 -0.632 0.975 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.558 -2.124 1.884 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.995 -1.964 1.886 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.933 -0.378 1.145 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.789 -1.396 -0.850 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.968 -2.976 -0.113 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.375 -2.854 -0.211 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.340 -1.151 -0.627 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.762 -2.518 -2.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.275 -1.716 -2.735 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.309 -3.366 -2.332 1.00 10.00 H new ATOM 356 N ILE A 23 -7.785 0.514 3.654 1.00 10.00 N ATOM 357 CA ILE A 23 -6.460 0.474 4.258 1.00 10.00 C ATOM 358 C ILE A 23 -6.579 0.453 5.777 1.00 10.00 C ATOM 359 O ILE A 23 -7.218 1.323 6.375 1.00 10.00 O ATOM 360 CB ILE A 23 -5.595 1.678 3.820 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.456 1.705 2.294 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.222 1.612 4.477 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.709 2.912 1.768 1.00 10.00 C ATOM 0 H ILE A 23 -8.019 1.400 3.206 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.968 -0.436 3.915 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.088 2.596 4.141 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.940 0.801 1.970 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.450 1.682 1.848 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.625 2.466 4.159 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.336 1.633 5.561 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.722 0.690 4.182 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.652 2.859 0.681 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.235 3.821 2.060 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.702 2.926 2.184 1.00 10.00 H new ATOM 375 N LEU A 24 -5.977 -0.550 6.397 1.00 10.00 N ATOM 376 CA LEU A 24 -6.020 -0.692 7.841 1.00 10.00 C ATOM 377 C LEU A 24 -4.937 0.156 8.495 1.00 10.00 C ATOM 378 O LEU A 24 -5.218 0.963 9.384 1.00 10.00 O ATOM 379 CB LEU A 24 -5.848 -2.160 8.239 1.00 10.00 C ATOM 380 CG LEU A 24 -6.924 -3.110 7.708 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.562 -4.553 8.024 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.282 -2.759 8.297 1.00 10.00 C ATOM 0 H LEU A 24 -5.450 -1.281 5.918 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.993 -0.345 8.189 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.876 -2.504 7.886 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.833 -2.225 9.327 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.980 -2.998 6.625 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.338 -5.215 7.639 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.609 -4.800 7.556 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.479 -4.679 9.103 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.035 -3.445 7.909 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.240 -2.843 9.383 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.545 -1.738 8.022 1.00 10.00 H new ATOM 394 N SER A 25 -3.702 -0.020 8.045 1.00 10.00 N ATOM 395 CA SER A 25 -2.580 0.721 8.596 1.00 10.00 C ATOM 396 C SER A 25 -1.371 0.658 7.668 1.00 10.00 C ATOM 397 O SER A 25 -1.070 -0.395 7.100 1.00 10.00 O ATOM 398 CB SER A 25 -2.211 0.158 9.971 1.00 10.00 C ATOM 399 OG SER A 25 -2.215 -1.261 9.959 1.00 10.00 O ATOM 0 H SER A 25 -3.454 -0.670 7.299 1.00 10.00 H new ATOM 0 HA SER A 25 -2.877 1.765 8.698 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.225 0.520 10.263 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.918 0.521 10.718 1.00 10.00 H new ATOM 0 HG SER A 25 -1.975 -1.596 10.848 1.00 10.00 H new ATOM 405 N VAL A 26 -0.701 1.791 7.504 1.00 10.00 N ATOM 406 CA VAL A 26 0.487 1.863 6.666 1.00 10.00 C ATOM 407 C VAL A 26 1.736 1.908 7.545 1.00 10.00 C ATOM 408 O VAL A 26 1.759 2.607 8.560 1.00 10.00 O ATOM 409 CB VAL A 26 0.458 3.107 5.747 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.673 3.139 4.831 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.824 3.144 4.930 1.00 10.00 C ATOM 0 H VAL A 26 -0.961 2.675 7.942 1.00 10.00 H new ATOM 0 HA VAL A 26 0.507 0.974 6.035 1.00 10.00 H new ATOM 0 HB VAL A 26 0.488 3.992 6.383 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.627 4.024 4.196 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.581 3.171 5.433 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.682 2.245 4.207 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.823 4.027 4.291 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.887 2.249 4.312 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.682 3.183 5.601 1.00 10.00 H new ATOM 421 N GLY A 27 2.755 1.140 7.177 1.00 10.00 N ATOM 422 CA GLY A 27 3.987 1.114 7.942 1.00 10.00 C ATOM 423 C GLY A 27 5.193 1.481 7.098 1.00 10.00 C ATOM 424 O GLY A 27 5.527 0.790 6.133 1.00 10.00 O ATOM 0 H GLY A 27 2.749 0.532 6.358 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.907 1.807 8.780 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.130 0.119 8.364 1.00 10.00 H new ATOM 428 N ARG A 28 5.853 2.567 7.465 1.00 10.00 N ATOM 429 CA ARG A 28 7.022 3.032 6.736 1.00 10.00 C ATOM 430 C ARG A 28 8.300 2.485 7.361 1.00 10.00 C ATOM 431 O ARG A 28 8.683 2.888 8.461 1.00 10.00 O ATOM 432 CB ARG A 28 7.063 4.561 6.724 1.00 10.00 C ATOM 433 CG ARG A 28 8.096 5.135 5.769 1.00 10.00 C ATOM 434 CD ARG A 28 8.326 6.614 6.022 1.00 10.00 C ATOM 435 NE ARG A 28 9.283 7.183 5.078 1.00 10.00 N ATOM 436 CZ ARG A 28 10.340 7.915 5.428 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.581 8.184 6.705 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.155 8.383 4.495 1.00 10.00 N ATOM 0 H ARG A 28 5.598 3.145 8.266 1.00 10.00 H new ATOM 0 HA ARG A 28 6.952 2.668 5.711 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.078 4.940 6.451 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.274 4.918 7.732 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.036 4.595 5.881 1.00 10.00 H new ATOM 0 HG3 ARG A 28 7.764 4.988 4.741 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.379 7.148 5.945 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.690 6.756 7.039 1.00 10.00 H new ATOM 0 HE ARG A 28 9.133 7.009 4.084 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.955 7.830 7.428 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.393 8.745 6.964 1.00 10.00 H new ATOM 0 HH21 ARG A 28 10.973 8.183 3.512 1.00 10.00 H new ATOM 0 HH22 ARG A 28 11.965 8.944 4.760 1.00 10.00 H new ATOM 452 N TYR A 29 8.955 1.568 6.658 1.00 10.00 N ATOM 453 CA TYR A 29 10.198 0.972 7.142 1.00 10.00 C ATOM 454 C TYR A 29 11.374 1.884 6.813 1.00 10.00 C ATOM 455 O TYR A 29 12.450 1.776 7.401 1.00 10.00 O ATOM 456 CB TYR A 29 10.420 -0.404 6.504 1.00 10.00 C ATOM 457 CG TYR A 29 9.534 -1.503 7.055 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.150 -1.424 6.961 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.084 -2.627 7.658 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.343 -2.431 7.456 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.283 -3.637 8.155 1.00 10.00 C ATOM 462 CZ TYR A 29 7.914 -3.534 8.052 1.00 10.00 C ATOM 463 OH TYR A 29 7.115 -4.541 8.547 1.00 10.00 O ATOM 0 H TYR A 29 8.647 1.220 5.750 1.00 10.00 H new ATOM 0 HA TYR A 29 10.124 0.850 8.223 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.252 -0.324 5.430 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.462 -0.691 6.643 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.698 -0.562 6.494 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.157 -2.713 7.740 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.269 -2.353 7.376 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.729 -4.503 8.622 1.00 10.00 H new ATOM 0 HH TYR A 29 7.677 -5.245 8.933 1.00 10.00 H new ATOM 473 N GLY A 30 11.146 2.776 5.864 1.00 10.00 N ATOM 474 CA GLY A 30 12.163 3.708 5.433 1.00 10.00 C ATOM 475 C GLY A 30 12.083 3.921 3.942 1.00 10.00 C ATOM 476 O GLY A 30 11.319 4.758 3.469 1.00 10.00 O ATOM 0 H GLY A 30 10.255 2.871 5.376 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.036 4.659 5.950 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.149 3.329 5.700 1.00 10.00 H new ATOM 480 N LYS A 31 12.860 3.147 3.197 1.00 10.00 N ATOM 481 CA LYS A 31 12.844 3.226 1.743 1.00 10.00 C ATOM 482 C LYS A 31 11.726 2.341 1.218 1.00 10.00 C ATOM 483 O LYS A 31 11.207 2.543 0.118 1.00 10.00 O ATOM 484 CB LYS A 31 14.187 2.789 1.148 1.00 10.00 C ATOM 485 CG LYS A 31 15.385 3.550 1.697 1.00 10.00 C ATOM 486 CD LYS A 31 15.263 5.047 1.454 1.00 10.00 C ATOM 487 CE LYS A 31 15.047 5.807 2.754 1.00 10.00 C ATOM 488 NZ LYS A 31 14.629 7.209 2.507 1.00 10.00 N ATOM 0 H LYS A 31 13.509 2.457 3.575 1.00 10.00 H new ATOM 0 HA LYS A 31 12.674 4.261 1.446 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.328 1.725 1.338 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.152 2.918 0.066 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.476 3.362 2.767 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.297 3.179 1.229 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.166 5.412 0.964 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.432 5.240 0.776 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.288 5.300 3.350 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.968 5.799 3.337 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.265 7.623 3.389 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 15.446 7.762 2.176 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.883 7.226 1.783 1.00 10.00 H new ATOM 502 N LEU A 32 11.365 1.356 2.031 1.00 10.00 N ATOM 503 CA LEU A 32 10.303 0.426 1.701 1.00 10.00 C ATOM 504 C LEU A 32 9.079 0.721 2.554 1.00 10.00 C ATOM 505 O LEU A 32 9.191 1.009 3.750 1.00 10.00 O ATOM 506 CB LEU A 32 10.759 -1.022 1.927 1.00 10.00 C ATOM 507 CG LEU A 32 11.242 -1.775 0.681 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.796 -3.139 1.068 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.111 -1.928 -0.324 1.00 10.00 C ATOM 0 H LEU A 32 11.802 1.183 2.936 1.00 10.00 H new ATOM 0 HA LEU A 32 10.050 0.547 0.648 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.565 -1.018 2.661 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.931 -1.579 2.366 1.00 10.00 H new ATOM 0 HG LEU A 32 12.039 -1.195 0.216 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.135 -3.661 0.173 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.635 -3.010 1.752 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.016 -3.723 1.556 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.473 -2.465 -1.201 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.293 -2.487 0.131 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.755 -0.942 -0.624 1.00 10.00 H new ATOM 521 N ILE A 33 7.918 0.671 1.934 1.00 10.00 N ATOM 522 CA ILE A 33 6.669 0.929 2.619 1.00 10.00 C ATOM 523 C ILE A 33 5.755 -0.284 2.510 1.00 10.00 C ATOM 524 O ILE A 33 5.439 -0.739 1.408 1.00 10.00 O ATOM 525 CB ILE A 33 5.955 2.171 2.043 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.925 3.356 1.963 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.738 2.529 2.891 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.384 4.525 1.175 1.00 10.00 C ATOM 0 H ILE A 33 7.814 0.451 0.943 1.00 10.00 H new ATOM 0 HA ILE A 33 6.897 1.124 3.667 1.00 10.00 H new ATOM 0 HB ILE A 33 5.613 1.938 1.035 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.164 3.688 2.973 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.858 3.022 1.508 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.247 3.407 2.471 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.040 1.691 2.898 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.056 2.745 3.911 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.122 5.327 1.160 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.171 4.208 0.154 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.467 4.885 1.642 1.00 10.00 H new ATOM 540 N HIS A 34 5.353 -0.808 3.654 1.00 10.00 N ATOM 541 CA HIS A 34 4.476 -1.964 3.708 1.00 10.00 C ATOM 542 C HIS A 34 3.185 -1.582 4.415 1.00 10.00 C ATOM 543 O HIS A 34 3.211 -1.057 5.528 1.00 10.00 O ATOM 544 CB HIS A 34 5.176 -3.121 4.432 1.00 10.00 C ATOM 545 CG HIS A 34 4.351 -4.367 4.569 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.590 -4.799 5.609 1.00 10.00 N flip ATOM 547 CD2 HIS A 34 4.249 -5.338 3.595 1.00 10.00 C flip ATOM 548 CE1 HIS A 34 3.030 -6.033 5.283 1.00 10.00 C flip ATOM 549 NE2 HIS A 34 3.456 -6.307 4.064 1.00 10.00 N flip ATOM 0 H HIS A 34 5.624 -0.446 4.568 1.00 10.00 H new ATOM 0 HA HIS A 34 4.238 -2.293 2.697 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.093 -3.366 3.895 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.469 -2.785 5.427 1.00 10.00 H new ATOM 0 HD2 HIS A 34 4.725 -5.319 2.626 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.382 -6.639 5.899 1.00 10.00 H new ATOM 0 HE2 HIS A 34 3.211 -7.151 3.546 1.00 10.00 H new ATOM 557 N PHE A 35 2.058 -1.830 3.774 1.00 10.00 N ATOM 558 CA PHE A 35 0.775 -1.485 4.359 1.00 10.00 C ATOM 559 C PHE A 35 -0.152 -2.690 4.403 1.00 10.00 C ATOM 560 O PHE A 35 -0.005 -3.632 3.621 1.00 10.00 O ATOM 561 CB PHE A 35 0.120 -0.336 3.580 1.00 10.00 C ATOM 562 CG PHE A 35 -0.431 -0.736 2.237 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.791 -0.944 2.069 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.410 -0.911 1.150 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.302 -1.320 0.843 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.098 -1.285 -0.080 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.455 -1.490 -0.233 1.00 10.00 C ATOM 0 H PHE A 35 2.004 -2.266 2.854 1.00 10.00 H new ATOM 0 HA PHE A 35 0.952 -1.158 5.384 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.687 0.082 4.181 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.855 0.457 3.437 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.459 -0.810 2.907 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.472 -0.754 1.265 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.364 -1.481 0.726 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.566 -1.417 -0.921 1.00 10.00 H new ATOM 0 HZ PHE A 35 -1.853 -1.783 -1.193 1.00 10.00 H new ATOM 577 N LEU A 36 -1.099 -2.648 5.326 1.00 10.00 N ATOM 578 CA LEU A 36 -2.072 -3.714 5.487 1.00 10.00 C ATOM 579 C LEU A 36 -3.454 -3.182 5.146 1.00 10.00 C ATOM 580 O LEU A 36 -3.817 -2.083 5.566 1.00 10.00 O ATOM 581 CB LEU A 36 -2.052 -4.237 6.927 1.00 10.00 C ATOM 582 CG LEU A 36 -0.669 -4.611 7.461 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.668 -4.637 8.981 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.229 -5.956 6.904 1.00 10.00 C ATOM 0 H LEU A 36 -1.214 -1.876 5.983 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.821 -4.537 4.817 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.483 -3.477 7.579 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.697 -5.113 6.988 1.00 10.00 H new ATOM 0 HG LEU A 36 0.041 -3.852 7.132 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.326 -4.905 9.340 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.938 -3.652 9.362 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.392 -5.372 9.333 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.757 -6.206 7.294 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -0.943 -6.724 7.202 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.186 -5.903 5.816 1.00 10.00 H new ATOM 596 N TYR A 37 -4.219 -3.939 4.380 1.00 10.00 N ATOM 597 CA TYR A 37 -5.555 -3.507 3.990 1.00 10.00 C ATOM 598 C TYR A 37 -6.559 -4.642 4.137 1.00 10.00 C ATOM 599 O TYR A 37 -6.185 -5.812 4.151 1.00 10.00 O ATOM 600 CB TYR A 37 -5.554 -2.975 2.546 1.00 10.00 C ATOM 601 CG TYR A 37 -5.336 -4.031 1.473 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.411 -4.698 0.893 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.055 -4.351 1.034 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.216 -5.653 -0.088 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.854 -5.306 0.052 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.937 -5.954 -0.505 1.00 10.00 C ATOM 607 OH TYR A 37 -4.738 -6.909 -1.480 1.00 10.00 O ATOM 0 H TYR A 37 -3.943 -4.851 4.016 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.855 -2.698 4.657 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.505 -2.478 2.357 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.775 -2.218 2.454 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.415 -4.466 1.215 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.204 -3.846 1.466 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.063 -6.161 -0.526 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.853 -5.543 -0.277 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.567 -7.777 -1.058 1.00 10.00 H new ATOM 617 N ASP A 38 -7.827 -4.286 4.262 1.00 10.00 N ATOM 618 CA ASP A 38 -8.891 -5.271 4.386 1.00 10.00 C ATOM 619 C ASP A 38 -9.393 -5.633 2.997 1.00 10.00 C ATOM 620 O ASP A 38 -9.958 -4.791 2.295 1.00 10.00 O ATOM 621 CB ASP A 38 -10.038 -4.723 5.238 1.00 10.00 C ATOM 622 CG ASP A 38 -10.959 -5.815 5.742 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.728 -6.320 6.861 1.00 10.00 O ATOM 624 OD2 ASP A 38 -11.931 -6.158 5.037 1.00 10.00 O ATOM 0 H ASP A 38 -8.146 -3.317 4.280 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.502 -6.161 4.880 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.627 -4.178 6.088 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.614 -4.009 4.650 1.00 10.00 H new ATOM 629 N LEU A 39 -9.165 -6.874 2.597 1.00 10.00 N ATOM 630 CA LEU A 39 -9.565 -7.338 1.277 1.00 10.00 C ATOM 631 C LEU A 39 -11.075 -7.530 1.193 1.00 10.00 C ATOM 632 O LEU A 39 -11.712 -7.085 0.237 1.00 10.00 O ATOM 633 CB LEU A 39 -8.845 -8.644 0.938 1.00 10.00 C ATOM 634 CG LEU A 39 -8.914 -9.065 -0.530 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.532 -9.465 -1.029 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.902 -10.209 -0.708 1.00 10.00 C ATOM 0 H LEU A 39 -8.703 -7.581 3.170 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.283 -6.576 0.550 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.797 -8.547 1.222 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.268 -9.442 1.548 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.262 -8.218 -1.121 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -7.595 -9.763 -2.076 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.851 -8.619 -0.933 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.159 -10.300 -0.436 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.940 -10.497 -1.759 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.583 -11.062 -0.109 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.892 -9.888 -0.384 1.00 10.00 H new ATOM 648 N GLY A 40 -11.642 -8.183 2.191 1.00 10.00 N ATOM 649 CA GLY A 40 -13.069 -8.420 2.194 1.00 10.00 C ATOM 650 C GLY A 40 -13.392 -9.893 2.109 1.00 10.00 C ATOM 651 O GLY A 40 -12.728 -10.636 1.388 1.00 10.00 O ATOM 0 H GLY A 40 -11.142 -8.553 2.999 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.505 -8.004 3.102 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.526 -7.898 1.353 1.00 10.00 H new ATOM 655 N GLY A 41 -14.404 -10.319 2.847 1.00 10.00 N ATOM 656 CA GLY A 41 -14.785 -11.715 2.838 1.00 10.00 C ATOM 657 C GLY A 41 -14.245 -12.452 4.045 1.00 10.00 C ATOM 658 O GLY A 41 -14.649 -13.582 4.329 1.00 10.00 O ATOM 0 H GLY A 41 -14.969 -9.723 3.452 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.872 -11.795 2.819 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -14.415 -12.187 1.928 1.00 10.00 H new ATOM 662 N GLY A 42 -13.334 -11.805 4.758 1.00 10.00 N ATOM 663 CA GLY A 42 -12.744 -12.406 5.932 1.00 10.00 C ATOM 664 C GLY A 42 -11.244 -12.214 5.980 1.00 10.00 C ATOM 665 O GLY A 42 -10.698 -11.829 7.013 1.00 10.00 O ATOM 0 H GLY A 42 -12.993 -10.869 4.541 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -13.193 -11.971 6.825 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.973 -13.472 5.947 1.00 10.00 H new ATOM 669 N LYS A 43 -10.574 -12.475 4.866 1.00 10.00 N ATOM 670 CA LYS A 43 -9.125 -12.332 4.806 1.00 10.00 C ATOM 671 C LYS A 43 -8.731 -10.907 4.451 1.00 10.00 C ATOM 672 O LYS A 43 -9.484 -10.178 3.798 1.00 10.00 O ATOM 673 CB LYS A 43 -8.516 -13.312 3.793 1.00 10.00 C ATOM 674 CG LYS A 43 -8.654 -12.881 2.333 1.00 10.00 C ATOM 675 CD LYS A 43 -8.033 -13.895 1.387 1.00 10.00 C ATOM 676 CE LYS A 43 -6.509 -13.790 1.336 1.00 10.00 C ATOM 677 NZ LYS A 43 -6.031 -12.412 1.018 1.00 10.00 N ATOM 0 H LYS A 43 -11.007 -12.785 3.996 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.732 -12.565 5.796 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.458 -13.441 4.022 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.990 -14.285 3.918 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.709 -12.754 2.089 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.175 -11.912 2.193 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -8.315 -14.900 1.701 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -8.438 -13.749 0.386 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -6.096 -14.099 2.296 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -6.127 -14.483 0.587 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -5.019 -12.442 0.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.566 -12.037 0.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.175 -11.796 1.843 1.00 10.00 H new ATOM 691 N ALA A 44 -7.551 -10.518 4.895 1.00 10.00 N ATOM 692 CA ALA A 44 -7.027 -9.197 4.622 1.00 10.00 C ATOM 693 C ALA A 44 -5.975 -9.281 3.522 1.00 10.00 C ATOM 694 O ALA A 44 -5.877 -10.296 2.823 1.00 10.00 O ATOM 695 CB ALA A 44 -6.445 -8.587 5.890 1.00 10.00 C ATOM 0 H ALA A 44 -6.932 -11.107 5.452 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.836 -8.551 4.281 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.055 -7.593 5.670 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.225 -8.511 6.648 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.639 -9.220 6.261 1.00 10.00 H new ATOM 701 N GLY A 45 -5.207 -8.217 3.363 1.00 10.00 N ATOM 702 CA GLY A 45 -4.169 -8.185 2.360 1.00 10.00 C ATOM 703 C GLY A 45 -3.035 -7.268 2.763 1.00 10.00 C ATOM 704 O GLY A 45 -3.157 -6.506 3.726 1.00 10.00 O ATOM 0 H GLY A 45 -5.287 -7.365 3.919 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.784 -9.192 2.201 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.589 -7.851 1.411 1.00 10.00 H new ATOM 708 N MET A 46 -1.947 -7.324 2.019 1.00 10.00 N ATOM 709 CA MET A 46 -0.784 -6.503 2.303 1.00 10.00 C ATOM 710 C MET A 46 -0.184 -5.980 1.007 1.00 10.00 C ATOM 711 O MET A 46 -0.470 -6.507 -0.071 1.00 10.00 O ATOM 712 CB MET A 46 0.257 -7.303 3.095 1.00 10.00 C ATOM 713 CG MET A 46 0.860 -8.470 2.327 1.00 10.00 C ATOM 714 SD MET A 46 1.741 -9.625 3.394 1.00 10.00 S ATOM 715 CE MET A 46 2.478 -10.712 2.178 1.00 10.00 C ATOM 0 H MET A 46 -1.844 -7.934 1.208 1.00 10.00 H new ATOM 0 HA MET A 46 -1.095 -5.653 2.910 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.059 -6.631 3.402 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.208 -7.682 4.005 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.067 -9.001 1.800 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.544 -8.087 1.570 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.601 -11.707 2.606 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.831 -10.771 1.303 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.452 -10.321 1.883 1.00 10.00 H new ATOM 725 N GLY A 47 0.626 -4.938 1.116 1.00 10.00 N ATOM 726 CA GLY A 47 1.249 -4.354 -0.053 1.00 10.00 C ATOM 727 C GLY A 47 2.633 -3.812 0.233 1.00 10.00 C ATOM 728 O GLY A 47 2.880 -3.261 1.309 1.00 10.00 O ATOM 0 H GLY A 47 0.864 -4.484 1.998 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.313 -5.106 -0.840 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.619 -3.549 -0.432 1.00 10.00 H new ATOM 732 N MET A 48 3.532 -3.962 -0.732 1.00 10.00 N ATOM 733 CA MET A 48 4.903 -3.494 -0.593 1.00 10.00 C ATOM 734 C MET A 48 5.271 -2.552 -1.739 1.00 10.00 C ATOM 735 O MET A 48 5.113 -2.895 -2.914 1.00 10.00 O ATOM 736 CB MET A 48 5.860 -4.687 -0.567 1.00 10.00 C ATOM 737 CG MET A 48 7.316 -4.298 -0.384 1.00 10.00 C ATOM 738 SD MET A 48 7.860 -4.413 1.335 1.00 10.00 S ATOM 739 CE MET A 48 7.809 -6.188 1.584 1.00 10.00 C ATOM 0 H MET A 48 3.332 -4.409 -1.627 1.00 10.00 H new ATOM 0 HA MET A 48 4.989 -2.945 0.345 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.568 -5.358 0.241 1.00 10.00 H new ATOM 0 HB3 MET A 48 5.756 -5.245 -1.498 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.940 -4.943 -1.002 1.00 10.00 H new ATOM 0 HG3 MET A 48 7.462 -3.278 -0.739 1.00 10.00 H new ATOM 0 HE1 MET A 48 7.100 -6.424 2.378 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.495 -6.676 0.661 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.800 -6.545 1.864 1.00 10.00 H new ATOM 749 N VAL A 49 5.753 -1.366 -1.394 1.00 10.00 N ATOM 750 CA VAL A 49 6.148 -0.373 -2.384 1.00 10.00 C ATOM 751 C VAL A 49 7.359 0.412 -1.870 1.00 10.00 C ATOM 752 O VAL A 49 7.649 0.385 -0.677 1.00 10.00 O ATOM 753 CB VAL A 49 4.973 0.586 -2.711 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.748 1.587 -1.588 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.199 1.299 -4.037 1.00 10.00 C ATOM 0 H VAL A 49 5.881 -1.066 -0.427 1.00 10.00 H new ATOM 0 HA VAL A 49 6.421 -0.887 -3.306 1.00 10.00 H new ATOM 0 HB VAL A 49 4.071 -0.019 -2.804 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.918 2.245 -1.848 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.514 1.054 -0.667 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.650 2.181 -1.444 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.360 1.964 -4.240 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.119 1.881 -3.985 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.280 0.563 -4.837 1.00 10.00 H new ATOM 765 N SER A 50 8.075 1.086 -2.758 1.00 10.00 N ATOM 766 CA SER A 50 9.241 1.859 -2.356 1.00 10.00 C ATOM 767 C SER A 50 8.986 3.352 -2.550 1.00 10.00 C ATOM 768 O SER A 50 8.036 3.743 -3.235 1.00 10.00 O ATOM 769 CB SER A 50 10.471 1.429 -3.164 1.00 10.00 C ATOM 770 OG SER A 50 10.360 1.832 -4.520 1.00 10.00 O ATOM 0 H SER A 50 7.871 1.114 -3.757 1.00 10.00 H new ATOM 0 HA SER A 50 9.429 1.670 -1.299 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.369 1.864 -2.725 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.584 0.346 -3.112 1.00 10.00 H new ATOM 0 HG SER A 50 10.010 1.089 -5.055 1.00 10.00 H new ATOM 776 N GLU A 51 9.836 4.179 -1.945 1.00 10.00 N ATOM 777 CA GLU A 51 9.720 5.632 -2.060 1.00 10.00 C ATOM 778 C GLU A 51 9.976 6.088 -3.494 1.00 10.00 C ATOM 779 O GLU A 51 9.506 7.143 -3.915 1.00 10.00 O ATOM 780 CB GLU A 51 10.711 6.334 -1.127 1.00 10.00 C ATOM 781 CG GLU A 51 10.412 6.152 0.349 1.00 10.00 C ATOM 782 CD GLU A 51 11.143 7.166 1.207 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.387 7.224 1.141 1.00 10.00 O ATOM 784 OE2 GLU A 51 10.476 7.921 1.946 1.00 10.00 O ATOM 0 H GLU A 51 10.616 3.866 -1.367 1.00 10.00 H new ATOM 0 HA GLU A 51 8.703 5.901 -1.774 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.714 5.959 -1.332 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.716 7.400 -1.356 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.339 6.243 0.515 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.697 5.146 0.655 1.00 10.00 H new ATOM 791 N LYS A 52 10.726 5.284 -4.238 1.00 10.00 N ATOM 792 CA LYS A 52 11.051 5.602 -5.622 1.00 10.00 C ATOM 793 C LYS A 52 9.910 5.193 -6.546 1.00 10.00 C ATOM 794 O LYS A 52 9.707 5.791 -7.605 1.00 10.00 O ATOM 795 CB LYS A 52 12.340 4.893 -6.042 1.00 10.00 C ATOM 796 CG LYS A 52 13.569 5.329 -5.256 1.00 10.00 C ATOM 797 CD LYS A 52 14.781 4.479 -5.605 1.00 10.00 C ATOM 798 CE LYS A 52 16.039 4.988 -4.919 1.00 10.00 C ATOM 799 NZ LYS A 52 17.225 4.142 -5.225 1.00 10.00 N ATOM 0 H LYS A 52 11.121 4.405 -3.904 1.00 10.00 H new ATOM 0 HA LYS A 52 11.197 6.679 -5.701 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.207 3.818 -5.922 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.515 5.076 -7.102 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.785 6.377 -5.466 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.365 5.254 -4.188 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.598 3.446 -5.310 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.929 4.481 -6.685 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.234 6.013 -5.235 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.879 5.011 -3.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 18.060 4.525 -4.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.051 3.169 -4.901 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.394 4.140 -6.251 1.00 10.00 H new ATOM 813 N ASP A 53 9.163 4.181 -6.128 1.00 10.00 N ATOM 814 CA ASP A 53 8.041 3.676 -6.912 1.00 10.00 C ATOM 815 C ASP A 53 6.791 4.515 -6.680 1.00 10.00 C ATOM 816 O ASP A 53 6.161 4.977 -7.630 1.00 10.00 O ATOM 817 CB ASP A 53 7.743 2.217 -6.562 1.00 10.00 C ATOM 818 CG ASP A 53 8.764 1.255 -7.130 1.00 10.00 C ATOM 819 OD1 ASP A 53 9.178 1.435 -8.296 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.151 0.306 -6.415 1.00 10.00 O ATOM 0 H ASP A 53 9.313 3.690 -5.246 1.00 10.00 H new ATOM 0 HA ASP A 53 8.323 3.741 -7.963 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.712 2.108 -5.478 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.754 1.953 -6.937 1.00 10.00 H new ATOM 825 N ALA A 54 6.443 4.716 -5.416 1.00 10.00 N ATOM 826 CA ALA A 54 5.259 5.489 -5.064 1.00 10.00 C ATOM 827 C ALA A 54 5.506 6.984 -5.234 1.00 10.00 C ATOM 828 O ALA A 54 6.504 7.513 -4.744 1.00 10.00 O ATOM 829 CB ALA A 54 4.839 5.183 -3.634 1.00 10.00 C ATOM 0 H ALA A 54 6.964 4.354 -4.617 1.00 10.00 H new ATOM 0 HA ALA A 54 4.454 5.202 -5.740 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.953 5.766 -3.382 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.613 4.121 -3.541 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.650 5.442 -2.953 1.00 10.00 H new ATOM 835 N PRO A 55 4.611 7.682 -5.951 1.00 10.00 N ATOM 836 CA PRO A 55 4.732 9.124 -6.177 1.00 10.00 C ATOM 837 C PRO A 55 4.448 9.926 -4.909 1.00 10.00 C ATOM 838 O PRO A 55 3.774 9.438 -3.999 1.00 10.00 O ATOM 839 CB PRO A 55 3.672 9.405 -7.243 1.00 10.00 C ATOM 840 CG PRO A 55 2.663 8.323 -7.083 1.00 10.00 C ATOM 841 CD PRO A 55 3.415 7.114 -6.603 1.00 10.00 C ATOM 0 HA PRO A 55 5.739 9.413 -6.478 1.00 10.00 H new ATOM 0 HB2 PRO A 55 3.222 10.388 -7.102 1.00 10.00 H new ATOM 0 HB3 PRO A 55 4.106 9.394 -8.243 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.893 8.612 -6.367 1.00 10.00 H new ATOM 0 HG3 PRO A 55 2.159 8.118 -8.028 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.821 6.524 -5.905 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.684 6.456 -7.429 1.00 10.00 H new ATOM 849 N LYS A 56 4.947 11.158 -4.858 1.00 10.00 N ATOM 850 CA LYS A 56 4.761 12.022 -3.692 1.00 10.00 C ATOM 851 C LYS A 56 3.285 12.277 -3.403 1.00 10.00 C ATOM 852 O LYS A 56 2.892 12.395 -2.242 1.00 10.00 O ATOM 853 CB LYS A 56 5.482 13.353 -3.889 1.00 10.00 C ATOM 854 CG LYS A 56 6.996 13.232 -3.896 1.00 10.00 C ATOM 855 CD LYS A 56 7.655 14.586 -4.077 1.00 10.00 C ATOM 856 CE LYS A 56 9.110 14.448 -4.491 1.00 10.00 C ATOM 857 NZ LYS A 56 9.723 15.767 -4.784 1.00 10.00 N ATOM 0 H LYS A 56 5.485 11.583 -5.613 1.00 10.00 H new ATOM 0 HA LYS A 56 5.189 11.501 -2.836 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.157 13.796 -4.831 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.185 14.038 -3.095 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.332 12.784 -2.961 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.306 12.564 -4.699 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.114 15.157 -4.832 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.593 15.149 -3.146 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.670 13.955 -3.696 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.179 13.810 -5.372 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.716 15.634 -5.063 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.204 16.227 -5.559 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.679 16.366 -3.935 1.00 10.00 H new ATOM 871 N GLU A 57 2.473 12.356 -4.457 1.00 10.00 N ATOM 872 CA GLU A 57 1.039 12.593 -4.310 1.00 10.00 C ATOM 873 C GLU A 57 0.411 11.533 -3.411 1.00 10.00 C ATOM 874 O GLU A 57 -0.277 11.854 -2.439 1.00 10.00 O ATOM 875 CB GLU A 57 0.345 12.590 -5.677 1.00 10.00 C ATOM 876 CG GLU A 57 -1.165 12.742 -5.582 1.00 10.00 C ATOM 877 CD GLU A 57 -1.866 12.500 -6.899 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.388 11.663 -7.691 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.909 13.136 -7.147 1.00 10.00 O ATOM 0 H GLU A 57 2.786 12.259 -5.423 1.00 10.00 H new ATOM 0 HA GLU A 57 0.905 13.572 -3.851 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.748 13.401 -6.284 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.578 11.659 -6.194 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.549 12.044 -4.838 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.402 13.746 -5.229 1.00 10.00 H new ATOM 886 N LEU A 58 0.670 10.273 -3.727 1.00 10.00 N ATOM 887 CA LEU A 58 0.125 9.169 -2.955 1.00 10.00 C ATOM 888 C LEU A 58 0.910 8.990 -1.660 1.00 10.00 C ATOM 889 O LEU A 58 0.368 8.530 -0.660 1.00 10.00 O ATOM 890 CB LEU A 58 0.143 7.879 -3.777 1.00 10.00 C ATOM 891 CG LEU A 58 -0.553 7.966 -5.138 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.551 6.610 -5.823 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.975 8.489 -4.991 1.00 10.00 C ATOM 0 H LEU A 58 1.255 9.991 -4.514 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.910 9.400 -2.703 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.180 7.582 -3.935 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.330 7.089 -3.194 1.00 10.00 H new ATOM 0 HG LEU A 58 0.002 8.669 -5.759 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.050 6.690 -6.789 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.477 6.279 -5.971 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.079 5.887 -5.201 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.447 8.541 -5.972 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.545 7.817 -4.349 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.953 9.484 -4.546 1.00 10.00 H new ATOM 905 N LEU A 59 2.184 9.371 -1.683 1.00 10.00 N ATOM 906 CA LEU A 59 3.046 9.267 -0.508 1.00 10.00 C ATOM 907 C LEU A 59 2.476 10.095 0.638 1.00 10.00 C ATOM 908 O LEU A 59 2.472 9.666 1.792 1.00 10.00 O ATOM 909 CB LEU A 59 4.458 9.750 -0.847 1.00 10.00 C ATOM 910 CG LEU A 59 5.576 9.159 0.010 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.900 7.746 -0.446 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.815 10.040 -0.051 1.00 10.00 C ATOM 0 H LEU A 59 2.645 9.757 -2.507 1.00 10.00 H new ATOM 0 HA LEU A 59 3.092 8.222 -0.200 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.662 9.517 -1.892 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.485 10.835 -0.751 1.00 10.00 H new ATOM 0 HG LEU A 59 5.236 9.118 1.045 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.698 7.338 0.174 1.00 10.00 H new ATOM 0 HD12 LEU A 59 5.012 7.121 -0.352 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.222 7.765 -1.487 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.602 9.605 0.565 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.160 10.112 -1.083 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.572 11.035 0.321 1.00 10.00 H new ATOM 924 N GLN A 60 1.986 11.282 0.300 1.00 10.00 N ATOM 925 CA GLN A 60 1.394 12.180 1.287 1.00 10.00 C ATOM 926 C GLN A 60 0.151 11.539 1.905 1.00 10.00 C ATOM 927 O GLN A 60 -0.138 11.722 3.088 1.00 10.00 O ATOM 928 CB GLN A 60 1.037 13.520 0.632 1.00 10.00 C ATOM 929 CG GLN A 60 0.473 14.555 1.598 1.00 10.00 C ATOM 930 CD GLN A 60 1.457 14.971 2.676 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.738 15.002 2.342 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 1.066 15.280 3.800 1.00 10.00 N flip ATOM 0 H GLN A 60 1.987 11.647 -0.653 1.00 10.00 H new ATOM 0 HA GLN A 60 2.120 12.362 2.080 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.929 13.929 0.158 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.309 13.343 -0.159 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.167 15.437 1.036 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.423 14.151 2.070 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.071 15.244 4.022 1.00 10.00 H new ATOM 0 HE22 GLN A 60 1.737 15.572 4.511 1.00 10.00 H new ATOM 941 N MET A 61 -0.570 10.774 1.095 1.00 10.00 N ATOM 942 CA MET A 61 -1.776 10.094 1.548 1.00 10.00 C ATOM 943 C MET A 61 -1.416 8.919 2.453 1.00 10.00 C ATOM 944 O MET A 61 -2.114 8.634 3.426 1.00 10.00 O ATOM 945 CB MET A 61 -2.590 9.602 0.348 1.00 10.00 C ATOM 946 CG MET A 61 -3.074 10.720 -0.563 1.00 10.00 C ATOM 947 SD MET A 61 -3.655 10.121 -2.162 1.00 10.00 S ATOM 948 CE MET A 61 -5.198 9.337 -1.703 1.00 10.00 C ATOM 0 H MET A 61 -0.338 10.609 0.116 1.00 10.00 H new ATOM 0 HA MET A 61 -2.379 10.802 2.117 1.00 10.00 H new ATOM 0 HB2 MET A 61 -1.981 8.910 -0.233 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.452 9.042 0.710 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.881 11.261 -0.069 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.263 11.431 -0.720 1.00 10.00 H new ATOM 0 HE1 MET A 61 -5.681 8.935 -2.594 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.000 8.527 -1.001 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.854 10.071 -1.235 1.00 10.00 H new ATOM 958 N LEU A 62 -0.310 8.253 2.134 1.00 10.00 N ATOM 959 CA LEU A 62 0.150 7.110 2.912 1.00 10.00 C ATOM 960 C LEU A 62 0.569 7.543 4.310 1.00 10.00 C ATOM 961 O LEU A 62 0.245 6.883 5.296 1.00 10.00 O ATOM 962 CB LEU A 62 1.319 6.415 2.207 1.00 10.00 C ATOM 963 CG LEU A 62 1.014 5.897 0.801 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.159 5.034 0.292 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.295 5.120 0.794 1.00 10.00 C ATOM 0 H LEU A 62 0.285 8.487 1.339 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.677 6.406 2.999 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.154 7.113 2.147 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.648 5.578 2.822 1.00 10.00 H new ATOM 0 HG LEU A 62 0.908 6.750 0.131 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.925 4.674 -0.710 1.00 10.00 H new ATOM 0 HD12 LEU A 62 3.074 5.625 0.261 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.299 4.184 0.960 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.498 4.758 -0.214 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.219 4.273 1.475 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.107 5.772 1.116 1.00 10.00 H new ATOM 977 N GLU A 63 1.267 8.671 4.385 1.00 10.00 N ATOM 978 CA GLU A 63 1.731 9.209 5.658 1.00 10.00 C ATOM 979 C GLU A 63 0.557 9.549 6.575 1.00 10.00 C ATOM 980 O GLU A 63 0.685 9.523 7.801 1.00 10.00 O ATOM 981 CB GLU A 63 2.591 10.454 5.426 1.00 10.00 C ATOM 982 CG GLU A 63 4.029 10.141 5.050 1.00 10.00 C ATOM 983 CD GLU A 63 4.774 9.447 6.168 1.00 10.00 C ATOM 984 OE1 GLU A 63 5.197 10.139 7.120 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.935 8.211 6.112 1.00 10.00 O ATOM 0 H GLU A 63 1.525 9.233 3.574 1.00 10.00 H new ATOM 0 HA GLU A 63 2.334 8.443 6.146 1.00 10.00 H new ATOM 0 HB2 GLU A 63 2.140 11.054 4.635 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.585 11.062 6.330 1.00 10.00 H new ATOM 0 HG2 GLU A 63 4.041 9.510 4.161 1.00 10.00 H new ATOM 0 HG3 GLU A 63 4.545 11.066 4.791 1.00 10.00 H new ATOM 992 N LYS A 64 -0.589 9.856 5.980 1.00 10.00 N ATOM 993 CA LYS A 64 -1.780 10.198 6.747 1.00 10.00 C ATOM 994 C LYS A 64 -2.451 8.943 7.296 1.00 10.00 C ATOM 995 O LYS A 64 -3.076 8.972 8.356 1.00 10.00 O ATOM 996 CB LYS A 64 -2.763 10.984 5.881 1.00 10.00 C ATOM 997 CG LYS A 64 -2.269 12.377 5.522 1.00 10.00 C ATOM 998 CD LYS A 64 -3.262 13.108 4.642 1.00 10.00 C ATOM 999 CE LYS A 64 -2.805 14.527 4.347 1.00 10.00 C ATOM 1000 NZ LYS A 64 -3.848 15.319 3.651 1.00 10.00 N ATOM 0 H LYS A 64 -0.719 9.875 4.968 1.00 10.00 H new ATOM 0 HA LYS A 64 -1.475 10.821 7.588 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -2.955 10.427 4.964 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -3.714 11.068 6.408 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.098 12.950 6.433 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.311 12.303 5.008 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -3.390 12.564 3.706 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.235 13.132 5.132 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.538 15.022 5.281 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -1.905 14.497 3.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.492 16.279 3.470 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.085 14.862 2.747 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.699 15.372 4.246 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.299 7.835 6.579 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.895 6.568 6.991 1.00 10.00 C ATOM 1016 C GLN A 65 -1.865 5.702 7.715 1.00 10.00 C ATOM 1017 O GLN A 65 -2.111 4.529 8.013 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.453 5.824 5.775 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.545 6.586 5.035 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.835 6.692 5.828 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.033 7.630 6.602 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.732 5.739 5.629 1.00 10.00 N ATOM 0 H GLN A 65 -1.768 7.788 5.709 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.714 6.779 7.679 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.637 5.614 5.083 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.850 4.863 6.100 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.186 7.588 4.800 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.748 6.089 4.086 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.532 4.978 4.980 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.623 5.766 6.125 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.709 6.289 7.985 1.00 10.00 N ATOM 1032 CA LYS A 66 0.366 5.594 8.675 1.00 10.00 C ATOM 1033 C LYS A 66 0.070 5.510 10.169 1.00 10.00 C ATOM 1034 O LYS A 66 -0.072 6.535 10.842 1.00 10.00 O ATOM 1035 CB LYS A 66 1.695 6.315 8.438 1.00 10.00 C ATOM 1036 CG LYS A 66 2.897 5.621 9.062 1.00 10.00 C ATOM 1037 CD LYS A 66 4.179 6.402 8.818 1.00 10.00 C ATOM 1038 CE LYS A 66 4.105 7.797 9.422 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.364 8.558 9.221 1.00 10.00 N ATOM 0 H LYS A 66 -0.491 7.253 7.734 1.00 10.00 H new ATOM 0 HA LYS A 66 0.440 4.581 8.278 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.859 6.408 7.364 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.624 7.326 8.839 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.737 5.508 10.134 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.996 4.618 8.647 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.023 5.862 9.248 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.362 6.478 7.746 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.276 8.343 8.972 1.00 10.00 H new ATOM 0 HE3 LYS A 66 3.895 7.719 10.489 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.720 8.889 10.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.075 7.942 8.776 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.181 9.376 8.605 1.00 10.00 H new ATOM 1053 N LYS A 67 -0.015 4.292 10.680 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.309 4.071 12.091 1.00 10.00 C ATOM 1055 C LYS A 67 0.838 3.335 12.774 1.00 10.00 C ATOM 1056 O LYS A 67 1.241 2.256 12.333 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.605 3.265 12.238 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.829 3.959 11.661 1.00 10.00 C ATOM 1059 CD LYS A 67 -4.075 3.093 11.766 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.314 3.861 11.337 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.486 2.971 11.116 1.00 10.00 N ATOM 0 H LYS A 67 0.116 3.438 10.139 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.432 5.042 12.571 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.480 2.301 11.745 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.778 3.063 13.295 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.995 4.899 12.187 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.646 4.207 10.615 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.959 2.207 11.142 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.195 2.747 12.793 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.561 4.600 12.099 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -5.099 4.408 10.419 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.246 3.507 10.650 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.206 2.172 10.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.826 2.612 12.031 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.522 -12.501 -1.633 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.382 -11.688 -2.017 1.00 10.00 C ATOM 1107 C GLU B 6 0.899 -12.226 -1.383 1.00 10.00 C ATOM 1108 O GLU B 6 0.910 -12.621 -0.213 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.613 -10.228 -1.616 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.297 -10.052 -0.264 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.815 -10.060 -0.354 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -3.401 -8.977 -0.574 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.422 -11.147 -0.192 1.00 10.00 O ATOM 0 HA GLU B 6 -0.270 -11.735 -3.100 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.347 -9.712 -1.595 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.218 -9.744 -2.383 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -0.975 -10.850 0.405 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.971 -9.112 0.181 1.00 10.00 H new ATOM 1120 N GLU B 7 1.971 -12.266 -2.165 1.00 10.00 N ATOM 1121 CA GLU B 7 3.259 -12.756 -1.684 1.00 10.00 C ATOM 1122 C GLU B 7 4.358 -11.734 -1.941 1.00 10.00 C ATOM 1123 O GLU B 7 4.467 -11.190 -3.040 1.00 10.00 O ATOM 1124 CB GLU B 7 3.621 -14.081 -2.358 1.00 10.00 C ATOM 1125 CG GLU B 7 2.950 -15.287 -1.731 1.00 10.00 C ATOM 1126 CD GLU B 7 3.495 -16.595 -2.265 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.658 -16.932 -1.955 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.759 -17.301 -2.987 1.00 10.00 O ATOM 0 H GLU B 7 1.974 -11.964 -3.139 1.00 10.00 H new ATOM 0 HA GLU B 7 3.172 -12.917 -0.610 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.345 -14.030 -3.411 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.702 -14.216 -2.317 1.00 10.00 H new ATOM 0 HG2 GLU B 7 3.087 -15.254 -0.650 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.877 -15.240 -1.918 1.00 10.00 H new ATOM 1135 N GLU B 8 5.173 -11.483 -0.927 1.00 10.00 N ATOM 1136 CA GLU B 8 6.264 -10.525 -1.039 1.00 10.00 C ATOM 1137 C GLU B 8 7.576 -11.164 -0.613 1.00 10.00 C ATOM 1138 O GLU B 8 7.597 -12.296 -0.119 1.00 10.00 O ATOM 1139 CB GLU B 8 5.973 -9.288 -0.185 1.00 10.00 C ATOM 1140 CG GLU B 8 4.563 -8.747 -0.365 1.00 10.00 C ATOM 1141 CD GLU B 8 4.194 -7.698 0.662 1.00 10.00 C ATOM 1142 OE1 GLU B 8 3.184 -6.996 0.455 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.908 -7.576 1.677 1.00 10.00 O ATOM 0 H GLU B 8 5.099 -11.931 -0.014 1.00 10.00 H new ATOM 0 HA GLU B 8 6.351 -10.217 -2.081 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.128 -9.536 0.865 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.689 -8.506 -0.436 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.469 -8.319 -1.363 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.853 -9.572 -0.304 1.00 10.00 H new ATOM 1150 N GLY B 9 8.667 -10.444 -0.817 1.00 10.00 N ATOM 1151 CA GLY B 9 9.970 -10.955 -0.452 1.00 10.00 C ATOM 1152 C GLY B 9 11.069 -10.012 -0.866 1.00 10.00 C ATOM 1153 O GLY B 9 12.021 -10.401 -1.545 1.00 10.00 O ATOM 0 H GLY B 9 8.673 -9.512 -1.230 1.00 10.00 H new ATOM 0 HA2 GLY B 9 10.011 -11.113 0.626 1.00 10.00 H new ATOM 0 HA3 GLY B 9 10.126 -11.926 -0.922 1.00 10.00 H new ATOM 1157 N GLU B 10 10.925 -8.768 -0.459 1.00 10.00 N ATOM 1158 CA GLU B 10 11.883 -7.734 -0.788 1.00 10.00 C ATOM 1159 C GLU B 10 13.065 -7.774 0.168 1.00 10.00 C ATOM 1160 O GLU B 10 12.912 -8.091 1.349 1.00 10.00 O ATOM 1161 CB GLU B 10 11.209 -6.359 -0.739 1.00 10.00 C ATOM 1162 CG GLU B 10 10.459 -5.986 -2.012 1.00 10.00 C ATOM 1163 CD GLU B 10 9.625 -7.129 -2.575 1.00 10.00 C ATOM 1164 OE1 GLU B 10 9.880 -7.537 -3.727 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.729 -7.632 -1.864 1.00 10.00 O ATOM 0 H GLU B 10 10.141 -8.446 0.109 1.00 10.00 H new ATOM 0 HA GLU B 10 12.252 -7.912 -1.798 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.513 -6.338 0.099 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.968 -5.602 -0.542 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.807 -5.137 -1.806 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.176 -5.662 -2.767 1.00 10.00 H new ATOM 1172 N GLU B 11 14.243 -7.465 -0.351 1.00 10.00 N ATOM 1173 CA GLU B 11 15.452 -7.461 0.454 1.00 10.00 C ATOM 1174 C GLU B 11 15.803 -6.037 0.863 1.00 10.00 C ATOM 1175 O GLU B 11 15.952 -5.153 0.014 1.00 10.00 O ATOM 1176 CB GLU B 11 16.612 -8.095 -0.317 1.00 10.00 C ATOM 1177 CG GLU B 11 17.793 -8.476 0.561 1.00 10.00 C ATOM 1178 CD GLU B 11 17.470 -9.602 1.520 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.899 -9.329 2.595 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.786 -10.767 1.205 1.00 10.00 O ATOM 0 H GLU B 11 14.387 -7.213 -1.329 1.00 10.00 H new ATOM 0 HA GLU B 11 15.274 -8.051 1.353 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.251 -8.985 -0.832 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.951 -7.399 -1.084 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.630 -8.772 -0.072 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.115 -7.603 1.128 1.00 10.00 H new ATOM 1187 N TYR B 12 15.916 -5.813 2.163 1.00 10.00 N ATOM 1188 CA TYR B 12 16.241 -4.493 2.683 1.00 10.00 C ATOM 1189 C TYR B 12 17.716 -4.410 3.057 1.00 10.00 C ATOM 1190 O TYR B 12 18.439 -5.409 2.997 1.00 10.00 O ATOM 1191 CB TYR B 12 15.367 -4.179 3.900 1.00 10.00 C ATOM 1192 CG TYR B 12 15.097 -2.705 4.097 1.00 10.00 C ATOM 1193 CD1 TYR B 12 15.197 -2.121 5.353 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.728 -1.898 3.028 1.00 10.00 C ATOM 1195 CE1 TYR B 12 14.940 -0.775 5.537 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.471 -0.554 3.204 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.578 0.004 4.459 1.00 10.00 C ATOM 1198 OH TYR B 12 14.324 1.345 4.634 1.00 10.00 O ATOM 0 H TYR B 12 15.787 -6.529 2.878 1.00 10.00 H new ATOM 0 HA TYR B 12 16.043 -3.756 1.905 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.416 -4.702 3.797 1.00 10.00 H new ATOM 0 HB3 TYR B 12 15.851 -4.572 4.794 1.00 10.00 H new ATOM 0 HD1 TYR B 12 15.480 -2.728 6.200 1.00 10.00 H new ATOM 0 HD2 TYR B 12 14.641 -2.330 2.042 1.00 10.00 H new ATOM 0 HE1 TYR B 12 15.022 -0.336 6.520 1.00 10.00 H new ATOM 0 HE2 TYR B 12 14.187 0.058 2.361 1.00 10.00 H new ATOM 0 HH TYR B 12 15.108 1.865 4.361 1.00 10.00 H new