USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=22 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 Set 1.1: A 16 LYS NZ :NH3+ -105:sc= 1.32 (180deg=0.335) USER MOD Set 1.2: A 37 TYR OH : rot -127:sc= 1.85 USER MOD Single : A 2 SER OG : rot -168:sc= 1.28 USER MOD Single : A 3 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=-0.26) USER MOD Single : A 4 MET CE :methyl -146:sc= -0.0989 (180deg=-0.632) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.24) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.23) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.816 USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= 0.993 (180deg=-0.358!) USER MOD Single : A 17 GLN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : A 21 SER OG : rot -69:sc= 1.17 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+ -161:sc= 1.27 (180deg=1.05) USER MOD Single : A 34 HIS : no HE2:sc= -1.67 X(o=-1.7,f=-2!) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.0253 (180deg=-0.408) USER MOD Single : A 46 MET CE :methyl 132:sc= -0.0418 (180deg=-0.521) USER MOD Single : A 48 MET CE :methyl -164:sc= -0.275 (180deg=-0.934) USER MOD Single : A 50 SER OG : rot -125:sc= 1.43 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 : amide:sc= -0.635 K(o=-0.64,f=-0.11) USER MOD Single : A 61 MET CE :methyl -171:sc= -0.698 (180deg=-0.839) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.903 K(o=-0.9,f=-0.042) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.04) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0.00141 (180deg=0) USER MOD Single : B 12 TYR OH : rot 30:sc= 0.451 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.344 3.796 -5.174 1.00 10.00 N ATOM 9 CA SER A 2 -16.869 4.376 -3.932 1.00 10.00 C ATOM 10 C SER A 2 -16.547 5.847 -4.139 1.00 10.00 C ATOM 11 O SER A 2 -15.861 6.209 -5.095 1.00 10.00 O ATOM 12 CB SER A 2 -15.628 3.626 -3.437 1.00 10.00 C ATOM 13 OG SER A 2 -15.227 4.071 -2.151 1.00 10.00 O ATOM 0 HA SER A 2 -17.651 4.288 -3.178 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.838 2.557 -3.404 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.810 3.769 -4.143 1.00 10.00 H new ATOM 0 HG SER A 2 -14.335 3.721 -1.947 1.00 10.00 H new ATOM 19 N HIS A 3 -17.061 6.692 -3.258 1.00 10.00 N ATOM 20 CA HIS A 3 -16.811 8.128 -3.344 1.00 10.00 C ATOM 21 C HIS A 3 -15.589 8.496 -2.514 1.00 10.00 C ATOM 22 O HIS A 3 -15.346 9.670 -2.224 1.00 10.00 O ATOM 23 CB HIS A 3 -18.028 8.929 -2.870 1.00 10.00 C ATOM 24 CG HIS A 3 -19.192 8.896 -3.819 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.080 8.366 -5.085 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.463 9.330 -3.636 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.279 8.485 -5.636 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.144 9.058 -4.795 1.00 10.00 N ATOM 0 H HIS A 3 -17.653 6.412 -2.476 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.625 8.378 -4.388 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.350 8.542 -1.903 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.729 9.966 -2.715 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.862 9.799 -2.749 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -20.525 8.160 -6.636 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.127 9.256 -4.980 1.00 10.00 H new ATOM 36 N MET A 4 -14.828 7.479 -2.127 1.00 10.00 N ATOM 37 CA MET A 4 -13.620 7.675 -1.340 1.00 10.00 C ATOM 38 C MET A 4 -12.412 7.715 -2.264 1.00 10.00 C ATOM 39 O MET A 4 -12.522 7.412 -3.454 1.00 10.00 O ATOM 40 CB MET A 4 -13.452 6.552 -0.311 1.00 10.00 C ATOM 41 CG MET A 4 -14.528 6.530 0.764 1.00 10.00 C ATOM 42 SD MET A 4 -14.473 7.974 1.847 1.00 10.00 S ATOM 43 CE MET A 4 -12.886 7.752 2.649 1.00 10.00 C ATOM 0 H MET A 4 -15.030 6.504 -2.348 1.00 10.00 H new ATOM 0 HA MET A 4 -13.703 8.621 -0.804 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.453 5.594 -0.831 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.478 6.654 0.167 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.507 6.476 0.289 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.415 5.628 1.365 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.942 8.119 3.674 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.627 6.693 2.657 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.123 8.308 2.105 1.00 10.00 H new ATOM 53 N ALA A 5 -11.267 8.095 -1.724 1.00 10.00 N ATOM 54 CA ALA A 5 -10.046 8.161 -2.511 1.00 10.00 C ATOM 55 C ALA A 5 -9.454 6.769 -2.712 1.00 10.00 C ATOM 56 O ALA A 5 -9.551 5.913 -1.833 1.00 10.00 O ATOM 57 CB ALA A 5 -9.038 9.077 -1.838 1.00 10.00 C ATOM 0 H ALA A 5 -11.156 8.362 -0.746 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.290 8.569 -3.492 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.128 9.119 -2.436 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.459 10.078 -1.748 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.803 8.692 -0.846 1.00 10.00 H new ATOM 63 N THR A 6 -8.851 6.545 -3.867 1.00 10.00 N ATOM 64 CA THR A 6 -8.245 5.261 -4.176 1.00 10.00 C ATOM 65 C THR A 6 -6.742 5.418 -4.376 1.00 10.00 C ATOM 66 O THR A 6 -6.298 6.313 -5.098 1.00 10.00 O ATOM 67 CB THR A 6 -8.871 4.641 -5.440 1.00 10.00 C ATOM 68 OG1 THR A 6 -10.221 5.102 -5.597 1.00 10.00 O ATOM 69 CG2 THR A 6 -8.864 3.125 -5.352 1.00 10.00 C ATOM 0 H THR A 6 -8.768 7.239 -4.610 1.00 10.00 H new ATOM 0 HA THR A 6 -8.430 4.595 -3.333 1.00 10.00 H new ATOM 0 HB THR A 6 -8.278 4.949 -6.301 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.611 4.705 -6.404 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.310 2.706 -6.254 1.00 10.00 H new ATOM 0 HG22 THR A 6 -7.838 2.771 -5.257 1.00 10.00 H new ATOM 0 HG23 THR A 6 -9.439 2.808 -4.482 1.00 10.00 H new ATOM 77 N VAL A 7 -5.964 4.558 -3.734 1.00 10.00 N ATOM 78 CA VAL A 7 -4.512 4.626 -3.834 1.00 10.00 C ATOM 79 C VAL A 7 -3.971 3.448 -4.636 1.00 10.00 C ATOM 80 O VAL A 7 -4.460 2.324 -4.514 1.00 10.00 O ATOM 81 CB VAL A 7 -3.849 4.633 -2.440 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.410 5.113 -2.530 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.638 5.497 -1.471 1.00 10.00 C ATOM 0 H VAL A 7 -6.313 3.806 -3.139 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.269 5.558 -4.344 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.847 3.610 -2.063 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.963 5.110 -1.536 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.845 4.449 -3.184 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.389 6.125 -2.934 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.152 5.487 -0.495 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.678 6.520 -1.845 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.651 5.105 -1.376 1.00 10.00 H new ATOM 93 N LYS A 8 -2.977 3.717 -5.470 1.00 10.00 N ATOM 94 CA LYS A 8 -2.358 2.683 -6.280 1.00 10.00 C ATOM 95 C LYS A 8 -1.007 2.299 -5.689 1.00 10.00 C ATOM 96 O LYS A 8 -0.249 3.160 -5.248 1.00 10.00 O ATOM 97 CB LYS A 8 -2.193 3.161 -7.721 1.00 10.00 C ATOM 98 CG LYS A 8 -3.485 3.123 -8.526 1.00 10.00 C ATOM 99 CD LYS A 8 -3.231 3.341 -10.006 1.00 10.00 C ATOM 100 CE LYS A 8 -4.501 3.149 -10.827 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.243 3.262 -12.285 1.00 10.00 N ATOM 0 H LYS A 8 -2.582 4.648 -5.602 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.004 1.805 -6.282 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.808 4.181 -7.715 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.447 2.541 -8.218 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.977 2.162 -8.379 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.166 3.890 -8.157 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.843 4.347 -10.165 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.465 2.646 -10.351 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.929 2.170 -10.609 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.240 3.893 -10.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.148 3.295 -12.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.705 4.132 -12.476 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.694 2.439 -12.605 1.00 10.00 H new ATOM 115 N PHE A 9 -0.715 1.006 -5.678 1.00 10.00 N ATOM 116 CA PHE A 9 0.538 0.516 -5.123 1.00 10.00 C ATOM 117 C PHE A 9 1.278 -0.342 -6.134 1.00 10.00 C ATOM 118 O PHE A 9 0.660 -1.062 -6.918 1.00 10.00 O ATOM 119 CB PHE A 9 0.279 -0.294 -3.850 1.00 10.00 C ATOM 120 CG PHE A 9 -0.339 0.510 -2.747 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.715 0.610 -2.632 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.457 1.164 -1.825 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.286 1.348 -1.615 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.107 1.903 -0.806 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.481 1.995 -0.700 1.00 10.00 C ATOM 0 H PHE A 9 -1.328 0.279 -6.047 1.00 10.00 H new ATOM 0 HA PHE A 9 1.157 1.379 -4.877 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.375 -1.132 -4.089 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.221 -0.715 -3.499 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.349 0.105 -3.346 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.532 1.096 -1.903 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.361 1.419 -1.536 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.525 2.409 -0.092 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.925 2.572 0.098 1.00 10.00 H new ATOM 135 N LYS A 10 2.598 -0.268 -6.106 1.00 10.00 N ATOM 136 CA LYS A 10 3.428 -1.034 -7.023 1.00 10.00 C ATOM 137 C LYS A 10 4.025 -2.242 -6.304 1.00 10.00 C ATOM 138 O LYS A 10 5.244 -2.412 -6.244 1.00 10.00 O ATOM 139 CB LYS A 10 4.534 -0.142 -7.592 1.00 10.00 C ATOM 140 CG LYS A 10 5.164 -0.673 -8.867 1.00 10.00 C ATOM 141 CD LYS A 10 6.055 0.374 -9.509 1.00 10.00 C ATOM 142 CE LYS A 10 6.814 -0.184 -10.698 1.00 10.00 C ATOM 143 NZ LYS A 10 7.728 0.825 -11.290 1.00 10.00 N ATOM 0 H LYS A 10 3.121 0.318 -5.455 1.00 10.00 H new ATOM 0 HA LYS A 10 2.814 -1.394 -7.848 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.123 0.848 -7.788 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.312 -0.021 -6.838 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.748 -1.566 -8.644 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.383 -0.970 -9.567 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.448 1.220 -9.830 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.763 0.751 -8.771 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.388 -1.056 -10.386 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.106 -0.522 -11.455 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.254 0.397 -12.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.174 1.632 -11.641 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.398 1.154 -10.566 1.00 10.00 H new ATOM 157 N TYR A 11 3.151 -3.072 -5.753 1.00 10.00 N ATOM 158 CA TYR A 11 3.570 -4.267 -5.029 1.00 10.00 C ATOM 159 C TYR A 11 4.211 -5.268 -5.989 1.00 10.00 C ATOM 160 O TYR A 11 3.570 -5.724 -6.937 1.00 10.00 O ATOM 161 CB TYR A 11 2.365 -4.878 -4.290 1.00 10.00 C ATOM 162 CG TYR A 11 2.305 -6.394 -4.297 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.120 -7.152 -3.464 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.429 -7.066 -5.145 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.068 -8.535 -3.480 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.372 -8.447 -5.163 1.00 10.00 C ATOM 167 CZ TYR A 11 2.194 -9.176 -4.330 1.00 10.00 C ATOM 168 OH TYR A 11 2.141 -10.552 -4.351 1.00 10.00 O ATOM 0 H TYR A 11 2.140 -2.940 -5.793 1.00 10.00 H new ATOM 0 HA TYR A 11 4.320 -3.999 -4.285 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.382 -4.536 -3.255 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.450 -4.492 -4.739 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.805 -6.654 -2.794 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.783 -6.499 -5.799 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.710 -9.109 -2.829 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.686 -8.953 -5.827 1.00 10.00 H new ATOM 0 HH TYR A 11 1.472 -10.844 -5.005 1.00 10.00 H new ATOM 178 N LYS A 12 5.493 -5.562 -5.762 1.00 10.00 N ATOM 179 CA LYS A 12 6.253 -6.501 -6.597 1.00 10.00 C ATOM 180 C LYS A 12 6.314 -6.041 -8.055 1.00 10.00 C ATOM 181 O LYS A 12 6.608 -6.829 -8.954 1.00 10.00 O ATOM 182 CB LYS A 12 5.648 -7.908 -6.522 1.00 10.00 C ATOM 183 CG LYS A 12 5.937 -8.635 -5.218 1.00 10.00 C ATOM 184 CD LYS A 12 7.408 -8.989 -5.083 1.00 10.00 C ATOM 185 CE LYS A 12 7.636 -9.986 -3.960 1.00 10.00 C ATOM 186 NZ LYS A 12 9.080 -10.189 -3.687 1.00 10.00 N ATOM 0 H LYS A 12 6.034 -5.159 -4.997 1.00 10.00 H new ATOM 0 HA LYS A 12 7.270 -6.527 -6.206 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.569 -7.836 -6.655 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.032 -8.503 -7.351 1.00 10.00 H new ATOM 0 HG2 LYS A 12 5.635 -8.009 -4.378 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.338 -9.545 -5.169 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.771 -9.407 -6.022 1.00 10.00 H new ATOM 0 HD3 LYS A 12 7.986 -8.085 -4.892 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.141 -9.633 -3.055 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.178 -10.940 -4.222 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.219 -10.375 -2.673 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.427 -11.000 -4.238 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.608 -9.335 -3.958 1.00 10.00 H new ATOM 200 N GLY A 13 6.048 -4.762 -8.282 1.00 10.00 N ATOM 201 CA GLY A 13 6.067 -4.236 -9.633 1.00 10.00 C ATOM 202 C GLY A 13 4.738 -4.432 -10.341 1.00 10.00 C ATOM 203 O GLY A 13 4.648 -4.281 -11.561 1.00 10.00 O ATOM 0 H GLY A 13 5.820 -4.081 -7.558 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.309 -3.174 -9.605 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.856 -4.727 -10.202 1.00 10.00 H new ATOM 207 N GLU A 14 3.712 -4.772 -9.572 1.00 10.00 N ATOM 208 CA GLU A 14 2.377 -4.994 -10.106 1.00 10.00 C ATOM 209 C GLU A 14 1.483 -3.799 -9.790 1.00 10.00 C ATOM 210 O GLU A 14 1.554 -3.245 -8.690 1.00 10.00 O ATOM 211 CB GLU A 14 1.792 -6.273 -9.500 1.00 10.00 C ATOM 212 CG GLU A 14 0.434 -6.672 -10.053 1.00 10.00 C ATOM 213 CD GLU A 14 -0.055 -7.982 -9.469 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.434 -9.050 -9.898 1.00 10.00 O ATOM 215 OE2 GLU A 14 -0.926 -7.952 -8.575 1.00 10.00 O ATOM 0 H GLU A 14 3.783 -4.901 -8.563 1.00 10.00 H new ATOM 0 HA GLU A 14 2.433 -5.107 -11.189 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.492 -7.092 -9.667 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.706 -6.142 -8.421 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.290 -5.886 -9.837 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.496 -6.759 -11.138 1.00 10.00 H new ATOM 222 N GLU A 15 0.656 -3.397 -10.748 1.00 10.00 N ATOM 223 CA GLU A 15 -0.235 -2.262 -10.554 1.00 10.00 C ATOM 224 C GLU A 15 -1.460 -2.656 -9.728 1.00 10.00 C ATOM 225 O GLU A 15 -2.488 -3.071 -10.271 1.00 10.00 O ATOM 226 CB GLU A 15 -0.681 -1.676 -11.898 1.00 10.00 C ATOM 227 CG GLU A 15 -1.517 -0.408 -11.761 1.00 10.00 C ATOM 228 CD GLU A 15 -1.993 0.149 -13.089 1.00 10.00 C ATOM 229 OE1 GLU A 15 -1.861 -0.541 -14.119 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.502 1.295 -13.108 1.00 10.00 O ATOM 0 H GLU A 15 0.585 -3.840 -11.664 1.00 10.00 H new ATOM 0 HA GLU A 15 0.323 -1.501 -10.008 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.201 -1.457 -12.500 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.258 -2.426 -12.439 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -2.383 -0.619 -11.133 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.928 0.352 -11.247 1.00 10.00 H new ATOM 237 N LYS A 16 -1.335 -2.548 -8.415 1.00 10.00 N ATOM 238 CA LYS A 16 -2.434 -2.864 -7.516 1.00 10.00 C ATOM 239 C LYS A 16 -3.139 -1.579 -7.106 1.00 10.00 C ATOM 240 O LYS A 16 -2.517 -0.517 -7.048 1.00 10.00 O ATOM 241 CB LYS A 16 -1.934 -3.609 -6.273 1.00 10.00 C ATOM 242 CG LYS A 16 -1.982 -5.125 -6.406 1.00 10.00 C ATOM 243 CD LYS A 16 -2.136 -5.803 -5.049 1.00 10.00 C ATOM 244 CE LYS A 16 -2.311 -7.306 -5.194 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.897 -7.922 -3.972 1.00 10.00 N ATOM 0 H LYS A 16 -0.482 -2.243 -7.947 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.134 -3.515 -8.039 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -0.908 -3.304 -6.066 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.535 -3.309 -5.415 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.814 -5.408 -7.051 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.070 -5.478 -6.888 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.259 -5.595 -4.436 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.996 -5.384 -4.527 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.954 -7.515 -6.049 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.344 -7.765 -5.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.155 -8.429 -3.449 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.301 -7.178 -3.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.646 -8.590 -4.245 1.00 10.00 H new ATOM 259 N GLN A 17 -4.427 -1.671 -6.836 1.00 10.00 N ATOM 260 CA GLN A 17 -5.203 -0.510 -6.435 1.00 10.00 C ATOM 261 C GLN A 17 -6.081 -0.848 -5.238 1.00 10.00 C ATOM 262 O GLN A 17 -6.768 -1.868 -5.239 1.00 10.00 O ATOM 263 CB GLN A 17 -6.065 -0.034 -7.598 1.00 10.00 C ATOM 264 CG GLN A 17 -6.620 1.367 -7.415 1.00 10.00 C ATOM 265 CD GLN A 17 -7.436 1.841 -8.601 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.395 3.015 -8.965 1.00 10.00 O ATOM 267 NE2 GLN A 17 -8.196 0.941 -9.204 1.00 10.00 N ATOM 0 H GLN A 17 -4.960 -2.539 -6.887 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.518 0.288 -6.150 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.473 -0.064 -8.513 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.894 -0.729 -7.732 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.242 1.391 -6.520 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.795 2.060 -7.249 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -8.204 -0.024 -8.873 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.774 1.212 -9.999 1.00 10.00 H new ATOM 276 N VAL A 18 -6.047 -0.005 -4.216 1.00 10.00 N ATOM 277 CA VAL A 18 -6.841 -0.230 -3.015 1.00 10.00 C ATOM 278 C VAL A 18 -7.507 1.064 -2.559 1.00 10.00 C ATOM 279 O VAL A 18 -6.870 2.121 -2.536 1.00 10.00 O ATOM 280 CB VAL A 18 -5.979 -0.777 -1.848 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.863 -1.228 -0.696 1.00 10.00 C ATOM 282 CG2 VAL A 18 -5.074 -1.915 -2.305 1.00 10.00 C ATOM 0 H VAL A 18 -5.478 0.841 -4.194 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.598 -0.971 -3.274 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.340 0.035 -1.501 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -6.240 -1.609 0.113 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.450 -0.383 -0.336 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.534 -2.016 -1.039 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.485 -2.273 -1.461 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.683 -2.731 -2.694 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.405 -1.556 -3.088 1.00 10.00 H new ATOM 292 N ASP A 19 -8.790 0.984 -2.222 1.00 10.00 N ATOM 293 CA ASP A 19 -9.526 2.146 -1.736 1.00 10.00 C ATOM 294 C ASP A 19 -8.976 2.557 -0.373 1.00 10.00 C ATOM 295 O ASP A 19 -8.628 1.701 0.445 1.00 10.00 O ATOM 296 CB ASP A 19 -11.024 1.839 -1.639 1.00 10.00 C ATOM 297 CG ASP A 19 -11.859 3.060 -1.297 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.803 3.515 -0.136 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.585 3.557 -2.183 1.00 10.00 O ATOM 0 H ASP A 19 -9.341 0.128 -2.276 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.399 2.968 -2.440 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.367 1.425 -2.588 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.184 1.072 -0.881 1.00 10.00 H new ATOM 304 N ILE A 20 -8.917 3.857 -0.122 1.00 10.00 N ATOM 305 CA ILE A 20 -8.372 4.377 1.124 1.00 10.00 C ATOM 306 C ILE A 20 -9.164 3.911 2.355 1.00 10.00 C ATOM 307 O ILE A 20 -8.614 3.847 3.455 1.00 10.00 O ATOM 308 CB ILE A 20 -8.285 5.923 1.099 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.240 6.417 2.102 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.642 6.553 1.384 1.00 10.00 C ATOM 311 CD1 ILE A 20 -6.850 7.865 1.905 1.00 10.00 C ATOM 0 H ILE A 20 -9.242 4.575 -0.769 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.365 3.969 1.209 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.977 6.228 0.099 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.629 6.288 3.112 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.349 5.795 2.022 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.551 7.639 1.360 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.358 6.232 0.628 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -9.989 6.239 2.369 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.106 8.146 2.651 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.431 7.997 0.907 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -7.731 8.497 2.015 1.00 10.00 H new ATOM 323 N SER A 21 -10.437 3.566 2.182 1.00 10.00 N ATOM 324 CA SER A 21 -11.247 3.119 3.310 1.00 10.00 C ATOM 325 C SER A 21 -10.961 1.657 3.634 1.00 10.00 C ATOM 326 O SER A 21 -11.266 1.177 4.728 1.00 10.00 O ATOM 327 CB SER A 21 -12.739 3.335 3.035 1.00 10.00 C ATOM 328 OG SER A 21 -13.156 2.675 1.851 1.00 10.00 O ATOM 0 H SER A 21 -10.924 3.587 1.286 1.00 10.00 H new ATOM 0 HA SER A 21 -10.976 3.719 4.179 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.321 2.968 3.880 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.942 4.402 2.947 1.00 10.00 H new ATOM 0 HG SER A 21 -12.763 3.121 1.072 1.00 10.00 H new ATOM 334 N LYS A 22 -10.355 0.957 2.682 1.00 10.00 N ATOM 335 CA LYS A 22 -10.015 -0.448 2.860 1.00 10.00 C ATOM 336 C LYS A 22 -8.628 -0.571 3.476 1.00 10.00 C ATOM 337 O LYS A 22 -8.262 -1.613 4.023 1.00 10.00 O ATOM 338 CB LYS A 22 -10.067 -1.183 1.522 1.00 10.00 C ATOM 339 CG LYS A 22 -11.429 -1.121 0.845 1.00 10.00 C ATOM 340 CD LYS A 22 -11.361 -1.659 -0.574 1.00 10.00 C ATOM 341 CE LYS A 22 -12.714 -1.582 -1.275 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.654 -2.119 -2.660 1.00 10.00 N ATOM 0 H LYS A 22 -10.089 1.342 1.776 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.743 -0.904 3.531 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.319 -0.757 0.854 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.796 -2.227 1.680 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.151 -1.699 1.422 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.784 -0.091 0.830 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.624 -1.092 -1.143 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.020 -2.694 -0.554 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.452 -2.142 -0.701 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.050 -0.545 -1.302 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.593 -2.048 -3.101 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.968 -1.569 -3.216 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.358 -3.116 -2.633 1.00 10.00 H new ATOM 356 N ILE A 23 -7.858 0.506 3.376 1.00 10.00 N ATOM 357 CA ILE A 23 -6.516 0.541 3.932 1.00 10.00 C ATOM 358 C ILE A 23 -6.594 0.700 5.445 1.00 10.00 C ATOM 359 O ILE A 23 -7.239 1.621 5.949 1.00 10.00 O ATOM 360 CB ILE A 23 -5.677 1.688 3.328 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.546 1.507 1.813 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.301 1.746 3.981 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.828 2.643 1.119 1.00 10.00 C ATOM 0 H ILE A 23 -8.144 1.369 2.913 1.00 10.00 H new ATOM 0 HA ILE A 23 -6.024 -0.399 3.682 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.187 2.631 3.523 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -5.013 0.577 1.613 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.542 1.403 1.382 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.724 2.560 3.542 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.413 1.916 5.052 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.780 0.803 3.816 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.776 2.441 0.049 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.371 3.573 1.286 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.819 2.735 1.521 1.00 10.00 H new ATOM 375 N LEU A 24 -5.948 -0.202 6.161 1.00 10.00 N ATOM 376 CA LEU A 24 -5.961 -0.170 7.612 1.00 10.00 C ATOM 377 C LEU A 24 -4.826 0.693 8.148 1.00 10.00 C ATOM 378 O LEU A 24 -5.055 1.782 8.681 1.00 10.00 O ATOM 379 CB LEU A 24 -5.852 -1.592 8.169 1.00 10.00 C ATOM 380 CG LEU A 24 -6.864 -2.593 7.605 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.503 -4.009 8.028 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.269 -2.241 8.066 1.00 10.00 C ATOM 0 H LEU A 24 -5.406 -0.968 5.760 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.904 0.269 7.937 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.847 -1.966 7.972 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.971 -1.551 9.252 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.834 -2.541 6.517 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.232 -4.708 7.619 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.511 -4.259 7.653 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.507 -4.076 9.116 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.977 -2.961 7.657 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.312 -2.268 9.155 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.527 -1.241 7.717 1.00 10.00 H new ATOM 394 N SER A 25 -3.599 0.218 7.986 1.00 10.00 N ATOM 395 CA SER A 25 -2.439 0.941 8.477 1.00 10.00 C ATOM 396 C SER A 25 -1.279 0.855 7.493 1.00 10.00 C ATOM 397 O SER A 25 -1.137 -0.135 6.770 1.00 10.00 O ATOM 398 CB SER A 25 -2.011 0.370 9.832 1.00 10.00 C ATOM 399 OG SER A 25 -3.140 0.113 10.653 1.00 10.00 O ATOM 0 H SER A 25 -3.383 -0.663 7.519 1.00 10.00 H new ATOM 0 HA SER A 25 -2.713 1.990 8.589 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.449 -0.551 9.681 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.344 1.072 10.333 1.00 10.00 H new ATOM 0 HG SER A 25 -2.843 -0.252 11.512 1.00 10.00 H new ATOM 405 N VAL A 26 -0.472 1.908 7.457 1.00 10.00 N ATOM 406 CA VAL A 26 0.692 1.967 6.585 1.00 10.00 C ATOM 407 C VAL A 26 1.964 2.083 7.422 1.00 10.00 C ATOM 408 O VAL A 26 2.054 2.936 8.310 1.00 10.00 O ATOM 409 CB VAL A 26 0.609 3.165 5.613 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.838 3.221 4.720 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.656 3.093 4.771 1.00 10.00 C ATOM 0 H VAL A 26 -0.606 2.742 8.029 1.00 10.00 H new ATOM 0 HA VAL A 26 0.715 1.049 5.998 1.00 10.00 H new ATOM 0 HB VAL A 26 0.573 4.078 6.207 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.758 4.072 4.044 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.731 3.330 5.336 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.908 2.301 4.139 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.692 3.947 4.095 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.655 2.170 4.191 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.529 3.110 5.424 1.00 10.00 H new ATOM 421 N GLY A 27 2.929 1.216 7.149 1.00 10.00 N ATOM 422 CA GLY A 27 4.177 1.234 7.882 1.00 10.00 C ATOM 423 C GLY A 27 5.367 1.490 6.981 1.00 10.00 C ATOM 424 O GLY A 27 5.565 0.794 5.986 1.00 10.00 O ATOM 0 H GLY A 27 2.868 0.497 6.428 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.133 2.005 8.651 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.309 0.281 8.394 1.00 10.00 H new ATOM 428 N ARG A 28 6.163 2.489 7.323 1.00 10.00 N ATOM 429 CA ARG A 28 7.335 2.830 6.535 1.00 10.00 C ATOM 430 C ARG A 28 8.595 2.228 7.150 1.00 10.00 C ATOM 431 O ARG A 28 8.989 2.590 8.260 1.00 10.00 O ATOM 432 CB ARG A 28 7.484 4.351 6.420 1.00 10.00 C ATOM 433 CG ARG A 28 8.644 4.780 5.536 1.00 10.00 C ATOM 434 CD ARG A 28 8.934 6.265 5.669 1.00 10.00 C ATOM 435 NE ARG A 28 10.051 6.678 4.826 1.00 10.00 N ATOM 436 CZ ARG A 28 11.291 6.874 5.269 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.581 6.708 6.552 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.247 7.214 4.414 1.00 10.00 N ATOM 0 H ARG A 28 6.019 3.079 8.142 1.00 10.00 H new ATOM 0 HA ARG A 28 7.202 2.413 5.537 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.560 4.770 6.022 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.622 4.771 7.416 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.534 4.210 5.802 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.415 4.546 4.496 1.00 10.00 H new ATOM 0 HD2 ARG A 28 8.045 6.834 5.398 1.00 10.00 H new ATOM 0 HD3 ARG A 28 9.158 6.500 6.710 1.00 10.00 H new ATOM 0 HE ARG A 28 9.870 6.826 3.833 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.852 6.428 7.208 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.534 6.860 6.883 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.030 7.324 3.423 1.00 10.00 H new ATOM 0 HH22 ARG A 28 13.199 7.366 4.747 1.00 10.00 H new ATOM 452 N TYR A 29 9.218 1.310 6.424 1.00 10.00 N ATOM 453 CA TYR A 29 10.442 0.661 6.886 1.00 10.00 C ATOM 454 C TYR A 29 11.648 1.464 6.423 1.00 10.00 C ATOM 455 O TYR A 29 12.788 1.184 6.788 1.00 10.00 O ATOM 456 CB TYR A 29 10.532 -0.765 6.331 1.00 10.00 C ATOM 457 CG TYR A 29 9.594 -1.751 6.994 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.217 -1.555 6.990 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.093 -2.884 7.618 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.367 -2.459 7.592 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.247 -3.793 8.224 1.00 10.00 C ATOM 462 CZ TYR A 29 7.885 -3.575 8.207 1.00 10.00 C ATOM 463 OH TYR A 29 7.039 -4.481 8.804 1.00 10.00 O ATOM 0 H TYR A 29 8.896 0.995 5.509 1.00 10.00 H new ATOM 0 HA TYR A 29 10.427 0.614 7.975 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.319 -0.741 5.262 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.555 -1.123 6.444 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.807 -0.680 6.507 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.159 -3.059 7.631 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.300 -2.292 7.581 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.650 -4.670 8.709 1.00 10.00 H new ATOM 0 HH TYR A 29 7.564 -5.212 9.191 1.00 10.00 H new ATOM 473 N GLY A 30 11.367 2.464 5.609 1.00 10.00 N ATOM 474 CA GLY A 30 12.397 3.311 5.062 1.00 10.00 C ATOM 475 C GLY A 30 12.113 3.584 3.608 1.00 10.00 C ATOM 476 O GLY A 30 11.177 4.311 3.283 1.00 10.00 O ATOM 0 H GLY A 30 10.422 2.707 5.313 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.442 4.249 5.616 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.370 2.831 5.168 1.00 10.00 H new ATOM 480 N LYS A 31 12.890 2.979 2.728 1.00 10.00 N ATOM 481 CA LYS A 31 12.671 3.149 1.304 1.00 10.00 C ATOM 482 C LYS A 31 11.577 2.195 0.843 1.00 10.00 C ATOM 483 O LYS A 31 11.008 2.353 -0.235 1.00 10.00 O ATOM 484 CB LYS A 31 13.960 2.919 0.517 1.00 10.00 C ATOM 485 CG LYS A 31 14.866 4.139 0.484 1.00 10.00 C ATOM 486 CD LYS A 31 14.222 5.295 -0.268 1.00 10.00 C ATOM 487 CE LYS A 31 14.795 6.634 0.166 1.00 10.00 C ATOM 488 NZ LYS A 31 13.801 7.730 0.021 1.00 10.00 N ATOM 0 H LYS A 31 13.672 2.371 2.972 1.00 10.00 H new ATOM 0 HA LYS A 31 12.354 4.175 1.116 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.503 2.083 0.958 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.709 2.633 -0.504 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.096 4.450 1.503 1.00 10.00 H new ATOM 0 HG3 LYS A 31 15.812 3.878 0.010 1.00 10.00 H new ATOM 0 HD2 LYS A 31 14.375 5.163 -1.339 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.146 5.287 -0.097 1.00 10.00 H new ATOM 0 HE2 LYS A 31 15.119 6.572 1.205 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.678 6.862 -0.430 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.293 8.646 0.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 13.277 7.608 -0.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.136 7.704 0.820 1.00 10.00 H new ATOM 502 N LEU A 32 11.297 1.203 1.683 1.00 10.00 N ATOM 503 CA LEU A 32 10.258 0.222 1.414 1.00 10.00 C ATOM 504 C LEU A 32 9.089 0.446 2.367 1.00 10.00 C ATOM 505 O LEU A 32 9.258 0.427 3.588 1.00 10.00 O ATOM 506 CB LEU A 32 10.795 -1.206 1.584 1.00 10.00 C ATOM 507 CG LEU A 32 11.393 -1.842 0.326 1.00 10.00 C ATOM 508 CD1 LEU A 32 12.037 -3.174 0.662 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.330 -2.023 -0.747 1.00 10.00 C ATOM 0 H LEU A 32 11.785 1.059 2.567 1.00 10.00 H new ATOM 0 HA LEU A 32 9.925 0.344 0.383 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.557 -1.198 2.363 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.983 -1.840 1.939 1.00 10.00 H new ATOM 0 HG LEU A 32 12.159 -1.172 -0.063 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.457 -3.613 -0.243 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.830 -3.020 1.393 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.286 -3.847 1.077 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.779 -2.476 -1.631 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.538 -2.670 -0.369 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.910 -1.052 -1.011 1.00 10.00 H new ATOM 521 N ILE A 33 7.914 0.682 1.811 1.00 10.00 N ATOM 522 CA ILE A 33 6.724 0.911 2.610 1.00 10.00 C ATOM 523 C ILE A 33 5.797 -0.295 2.528 1.00 10.00 C ATOM 524 O ILE A 33 5.406 -0.711 1.439 1.00 10.00 O ATOM 525 CB ILE A 33 5.969 2.173 2.139 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.908 3.386 2.136 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.762 2.438 3.026 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.304 4.622 1.504 1.00 10.00 C ATOM 0 H ILE A 33 7.758 0.720 0.804 1.00 10.00 H new ATOM 0 HA ILE A 33 7.039 1.061 3.643 1.00 10.00 H new ATOM 0 HB ILE A 33 5.616 2.003 1.122 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.193 3.616 3.163 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.822 3.125 1.602 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.244 3.331 2.678 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.085 1.585 2.983 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.092 2.588 4.054 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.026 5.438 1.538 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.045 4.410 0.467 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.406 4.909 2.051 1.00 10.00 H new ATOM 540 N HIS A 34 5.463 -0.852 3.678 1.00 10.00 N ATOM 541 CA HIS A 34 4.588 -2.013 3.750 1.00 10.00 C ATOM 542 C HIS A 34 3.297 -1.632 4.466 1.00 10.00 C ATOM 543 O HIS A 34 3.327 -1.111 5.580 1.00 10.00 O ATOM 544 CB HIS A 34 5.304 -3.159 4.477 1.00 10.00 C ATOM 545 CG HIS A 34 4.468 -4.384 4.694 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.330 -5.404 3.776 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.735 -4.753 5.775 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.536 -6.334 4.316 1.00 10.00 C ATOM 549 NE2 HIS A 34 3.151 -5.991 5.531 1.00 10.00 N ATOM 0 H HIS A 34 5.787 -0.516 4.585 1.00 10.00 H new ATOM 0 HA HIS A 34 4.339 -2.351 2.744 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.189 -3.437 3.905 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.651 -2.796 5.445 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.757 -5.442 2.851 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.623 -4.176 6.681 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.246 -7.249 3.821 1.00 10.00 H new ATOM 557 N PHE A 35 2.166 -1.889 3.831 1.00 10.00 N ATOM 558 CA PHE A 35 0.875 -1.550 4.415 1.00 10.00 C ATOM 559 C PHE A 35 -0.051 -2.759 4.460 1.00 10.00 C ATOM 560 O PHE A 35 0.178 -3.759 3.774 1.00 10.00 O ATOM 561 CB PHE A 35 0.218 -0.411 3.623 1.00 10.00 C ATOM 562 CG PHE A 35 -0.436 -0.850 2.341 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.809 -0.753 2.187 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.316 -1.358 1.295 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.418 -1.153 1.016 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.290 -1.763 0.120 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.659 -1.661 -0.018 1.00 10.00 C ATOM 0 H PHE A 35 2.113 -2.330 2.913 1.00 10.00 H new ATOM 0 HA PHE A 35 1.048 -1.222 5.440 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.530 0.071 4.253 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.974 0.340 3.394 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.410 -0.359 2.993 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.388 -1.439 1.398 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.489 -1.069 0.908 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.307 -2.158 -0.688 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.136 -1.978 -0.934 1.00 10.00 H new ATOM 577 N LEU A 36 -1.088 -2.658 5.279 1.00 10.00 N ATOM 578 CA LEU A 36 -2.072 -3.721 5.421 1.00 10.00 C ATOM 579 C LEU A 36 -3.447 -3.199 5.029 1.00 10.00 C ATOM 580 O LEU A 36 -3.859 -2.121 5.470 1.00 10.00 O ATOM 581 CB LEU A 36 -2.099 -4.241 6.858 1.00 10.00 C ATOM 582 CG LEU A 36 -0.777 -4.827 7.366 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.849 -5.075 8.867 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.446 -6.115 6.626 1.00 10.00 C ATOM 0 H LEU A 36 -1.270 -1.841 5.861 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.797 -4.545 4.763 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.393 -3.424 7.517 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.871 -5.007 6.936 1.00 10.00 H new ATOM 0 HG LEU A 36 0.018 -4.107 7.173 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.097 -5.491 9.213 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.042 -4.134 9.382 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.654 -5.778 9.081 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.496 -6.517 6.999 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.241 -6.843 6.788 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.355 -5.909 5.560 1.00 10.00 H new ATOM 596 N TYR A 37 -4.152 -3.952 4.201 1.00 10.00 N ATOM 597 CA TYR A 37 -5.473 -3.539 3.747 1.00 10.00 C ATOM 598 C TYR A 37 -6.464 -4.690 3.817 1.00 10.00 C ATOM 599 O TYR A 37 -6.092 -5.852 3.666 1.00 10.00 O ATOM 600 CB TYR A 37 -5.407 -2.994 2.310 1.00 10.00 C ATOM 601 CG TYR A 37 -4.978 -4.012 1.264 1.00 10.00 C ATOM 602 CD1 TYR A 37 -5.918 -4.735 0.539 1.00 10.00 C ATOM 603 CD2 TYR A 37 -3.636 -4.241 1.000 1.00 10.00 C ATOM 604 CE1 TYR A 37 -5.532 -5.661 -0.410 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.240 -5.164 0.050 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.190 -5.871 -0.654 1.00 10.00 C ATOM 607 OH TYR A 37 -3.798 -6.796 -1.599 1.00 10.00 O ATOM 0 H TYR A 37 -3.836 -4.848 3.830 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.817 -2.747 4.412 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.388 -2.605 2.038 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.713 -2.154 2.286 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -6.970 -4.570 0.721 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -2.886 -3.688 1.547 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.277 -6.218 -0.959 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.190 -5.330 -0.140 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.155 -7.419 -1.200 1.00 10.00 H new ATOM 617 N ASP A 38 -7.724 -4.357 4.050 1.00 10.00 N ATOM 618 CA ASP A 38 -8.784 -5.356 4.122 1.00 10.00 C ATOM 619 C ASP A 38 -9.309 -5.642 2.723 1.00 10.00 C ATOM 620 O ASP A 38 -9.813 -4.745 2.045 1.00 10.00 O ATOM 621 CB ASP A 38 -9.924 -4.875 5.026 1.00 10.00 C ATOM 622 CG ASP A 38 -10.925 -5.975 5.347 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.850 -6.541 6.461 1.00 10.00 O ATOM 624 OD2 ASP A 38 -11.795 -6.271 4.497 1.00 10.00 O ATOM 0 H ASP A 38 -8.041 -3.398 4.193 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.375 -6.271 4.550 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.506 -4.488 5.955 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.443 -4.048 4.541 1.00 10.00 H new ATOM 629 N LEU A 39 -9.173 -6.882 2.284 1.00 10.00 N ATOM 630 CA LEU A 39 -9.621 -7.259 0.955 1.00 10.00 C ATOM 631 C LEU A 39 -11.091 -7.648 0.968 1.00 10.00 C ATOM 632 O LEU A 39 -11.915 -7.005 0.316 1.00 10.00 O ATOM 633 CB LEU A 39 -8.775 -8.412 0.422 1.00 10.00 C ATOM 634 CG LEU A 39 -8.396 -8.312 -1.058 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.160 -9.143 -1.345 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.554 -8.762 -1.935 1.00 10.00 C ATOM 0 H LEU A 39 -8.758 -7.641 2.825 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.502 -6.398 0.297 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.860 -8.473 1.012 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.319 -9.344 0.579 1.00 10.00 H new ATOM 0 HG LEU A 39 -8.173 -7.270 -1.288 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -6.904 -9.061 -2.401 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.329 -8.779 -0.741 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.358 -10.186 -1.099 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.268 -8.685 -2.984 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.805 -9.797 -1.703 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.420 -8.127 -1.748 1.00 10.00 H new ATOM 648 N GLY A 40 -11.415 -8.690 1.715 1.00 10.00 N ATOM 649 CA GLY A 40 -12.784 -9.147 1.790 1.00 10.00 C ATOM 650 C GLY A 40 -12.871 -10.627 2.087 1.00 10.00 C ATOM 651 O GLY A 40 -11.857 -11.326 2.081 1.00 10.00 O ATOM 0 H GLY A 40 -10.752 -9.229 2.272 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.310 -8.590 2.565 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.289 -8.936 0.847 1.00 10.00 H new ATOM 655 N GLY A 41 -14.074 -11.104 2.373 1.00 10.00 N ATOM 656 CA GLY A 41 -14.267 -12.512 2.663 1.00 10.00 C ATOM 657 C GLY A 41 -13.799 -12.893 4.053 1.00 10.00 C ATOM 658 O GLY A 41 -13.896 -14.055 4.447 1.00 10.00 O ATOM 0 H GLY A 41 -14.923 -10.540 2.410 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.324 -12.758 2.560 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.727 -13.108 1.927 1.00 10.00 H new ATOM 662 N GLY A 42 -13.293 -11.921 4.799 1.00 10.00 N ATOM 663 CA GLY A 42 -12.819 -12.190 6.138 1.00 10.00 C ATOM 664 C GLY A 42 -11.308 -12.239 6.217 1.00 10.00 C ATOM 665 O GLY A 42 -10.744 -12.452 7.291 1.00 10.00 O ATOM 0 H GLY A 42 -13.203 -10.950 4.499 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -13.191 -11.419 6.814 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -13.229 -13.140 6.482 1.00 10.00 H new ATOM 669 N LYS A 43 -10.649 -12.049 5.083 1.00 10.00 N ATOM 670 CA LYS A 43 -9.195 -12.067 5.041 1.00 10.00 C ATOM 671 C LYS A 43 -8.670 -10.764 4.449 1.00 10.00 C ATOM 672 O LYS A 43 -9.354 -10.101 3.662 1.00 10.00 O ATOM 673 CB LYS A 43 -8.675 -13.278 4.251 1.00 10.00 C ATOM 674 CG LYS A 43 -9.294 -13.448 2.875 1.00 10.00 C ATOM 675 CD LYS A 43 -9.806 -14.867 2.664 1.00 10.00 C ATOM 676 CE LYS A 43 -8.666 -15.840 2.392 1.00 10.00 C ATOM 677 NZ LYS A 43 -8.118 -16.444 3.636 1.00 10.00 N ATOM 0 H LYS A 43 -11.097 -11.881 4.182 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.825 -12.159 6.062 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.595 -13.186 4.140 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.860 -14.181 4.832 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -10.116 -12.742 2.755 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.555 -13.209 2.110 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.358 -15.190 3.547 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.505 -14.882 1.828 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.020 -16.633 1.733 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.868 -15.319 1.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -7.535 -17.270 3.393 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.534 -15.742 4.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -8.902 -16.742 4.251 1.00 10.00 H new ATOM 691 N ALA A 44 -7.465 -10.395 4.846 1.00 10.00 N ATOM 692 CA ALA A 44 -6.848 -9.167 4.382 1.00 10.00 C ATOM 693 C ALA A 44 -5.628 -9.454 3.517 1.00 10.00 C ATOM 694 O ALA A 44 -5.245 -10.611 3.321 1.00 10.00 O ATOM 695 CB ALA A 44 -6.468 -8.299 5.570 1.00 10.00 C ATOM 0 H ALA A 44 -6.891 -10.934 5.494 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.570 -8.632 3.766 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.005 -7.378 5.215 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.362 -8.057 6.145 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.764 -8.838 6.204 1.00 10.00 H new ATOM 701 N GLY A 45 -5.027 -8.393 3.003 1.00 10.00 N ATOM 702 CA GLY A 45 -3.857 -8.525 2.167 1.00 10.00 C ATOM 703 C GLY A 45 -2.801 -7.509 2.534 1.00 10.00 C ATOM 704 O GLY A 45 -3.054 -6.605 3.336 1.00 10.00 O ATOM 0 H GLY A 45 -5.335 -7.432 3.153 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.448 -9.530 2.267 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.139 -8.398 1.122 1.00 10.00 H new ATOM 708 N MET A 46 -1.627 -7.641 1.940 1.00 10.00 N ATOM 709 CA MET A 46 -0.527 -6.728 2.216 1.00 10.00 C ATOM 710 C MET A 46 0.178 -6.323 0.930 1.00 10.00 C ATOM 711 O MET A 46 -0.102 -6.869 -0.138 1.00 10.00 O ATOM 712 CB MET A 46 0.468 -7.374 3.187 1.00 10.00 C ATOM 713 CG MET A 46 1.079 -8.671 2.674 1.00 10.00 C ATOM 714 SD MET A 46 2.086 -9.503 3.922 1.00 10.00 S ATOM 715 CE MET A 46 2.539 -11.001 3.053 1.00 10.00 C ATOM 0 H MET A 46 -1.409 -8.372 1.263 1.00 10.00 H new ATOM 0 HA MET A 46 -0.937 -5.829 2.677 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.269 -6.665 3.396 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.038 -7.571 4.132 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.282 -9.340 2.349 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.693 -8.458 1.799 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.611 -11.170 3.153 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.998 -11.846 3.478 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.284 -10.901 1.998 1.00 10.00 H new ATOM 725 N GLY A 47 1.078 -5.359 1.031 1.00 10.00 N ATOM 726 CA GLY A 47 1.808 -4.909 -0.133 1.00 10.00 C ATOM 727 C GLY A 47 2.934 -3.963 0.221 1.00 10.00 C ATOM 728 O GLY A 47 2.817 -3.168 1.160 1.00 10.00 O ATOM 0 H GLY A 47 1.316 -4.880 1.899 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.215 -5.772 -0.659 1.00 10.00 H new ATOM 0 HA3 GLY A 47 1.122 -4.412 -0.819 1.00 10.00 H new ATOM 732 N MET A 48 4.028 -4.059 -0.515 1.00 10.00 N ATOM 733 CA MET A 48 5.184 -3.210 -0.292 1.00 10.00 C ATOM 734 C MET A 48 5.488 -2.374 -1.531 1.00 10.00 C ATOM 735 O MET A 48 5.465 -2.877 -2.655 1.00 10.00 O ATOM 736 CB MET A 48 6.400 -4.065 0.059 1.00 10.00 C ATOM 737 CG MET A 48 7.310 -3.441 1.105 1.00 10.00 C ATOM 738 SD MET A 48 8.787 -4.428 1.436 1.00 10.00 S ATOM 739 CE MET A 48 8.068 -6.042 1.743 1.00 10.00 C ATOM 0 H MET A 48 4.139 -4.724 -1.280 1.00 10.00 H new ATOM 0 HA MET A 48 4.960 -2.538 0.537 1.00 10.00 H new ATOM 0 HB2 MET A 48 6.058 -5.035 0.421 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.977 -4.249 -0.847 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.611 -2.448 0.771 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.752 -3.310 2.032 1.00 10.00 H new ATOM 0 HE1 MET A 48 8.803 -6.681 2.232 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.195 -5.935 2.387 1.00 10.00 H new ATOM 0 HE3 MET A 48 7.768 -6.492 0.797 1.00 10.00 H new ATOM 749 N VAL A 49 5.769 -1.098 -1.319 1.00 10.00 N ATOM 750 CA VAL A 49 6.094 -0.186 -2.406 1.00 10.00 C ATOM 751 C VAL A 49 7.273 0.696 -1.999 1.00 10.00 C ATOM 752 O VAL A 49 7.482 0.938 -0.813 1.00 10.00 O ATOM 753 CB VAL A 49 4.872 0.685 -2.792 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.514 1.652 -1.671 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.123 1.434 -4.092 1.00 10.00 C ATOM 0 H VAL A 49 5.779 -0.667 -0.395 1.00 10.00 H new ATOM 0 HA VAL A 49 6.369 -0.774 -3.282 1.00 10.00 H new ATOM 0 HB VAL A 49 4.024 0.018 -2.946 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.653 2.251 -1.968 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.271 1.090 -0.769 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.361 2.308 -1.472 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.249 2.037 -4.339 1.00 10.00 H new ATOM 0 HG22 VAL A 49 5.991 2.083 -3.976 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.309 0.719 -4.894 1.00 10.00 H new ATOM 765 N SER A 50 8.057 1.148 -2.965 1.00 10.00 N ATOM 766 CA SER A 50 9.206 1.983 -2.663 1.00 10.00 C ATOM 767 C SER A 50 8.828 3.459 -2.698 1.00 10.00 C ATOM 768 O SER A 50 7.850 3.844 -3.346 1.00 10.00 O ATOM 769 CB SER A 50 10.332 1.704 -3.656 1.00 10.00 C ATOM 770 OG SER A 50 10.091 2.347 -4.895 1.00 10.00 O ATOM 0 H SER A 50 7.920 0.952 -3.957 1.00 10.00 H new ATOM 0 HA SER A 50 9.551 1.742 -1.657 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.280 2.049 -3.242 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.425 0.629 -3.813 1.00 10.00 H new ATOM 0 HG SER A 50 10.127 1.687 -5.618 1.00 10.00 H new ATOM 776 N GLU A 51 9.608 4.281 -2.005 1.00 10.00 N ATOM 777 CA GLU A 51 9.370 5.721 -1.965 1.00 10.00 C ATOM 778 C GLU A 51 9.638 6.354 -3.328 1.00 10.00 C ATOM 779 O GLU A 51 9.135 7.436 -3.634 1.00 10.00 O ATOM 780 CB GLU A 51 10.267 6.390 -0.920 1.00 10.00 C ATOM 781 CG GLU A 51 9.990 5.952 0.505 1.00 10.00 C ATOM 782 CD GLU A 51 10.454 6.974 1.521 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.666 7.292 1.557 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.609 7.471 2.294 1.00 10.00 O ATOM 0 H GLU A 51 10.414 3.974 -1.461 1.00 10.00 H new ATOM 0 HA GLU A 51 8.325 5.873 -1.696 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.308 6.174 -1.159 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.142 7.471 -0.987 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.921 5.780 0.628 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.490 5.002 0.694 1.00 10.00 H new ATOM 791 N LYS A 52 10.430 5.674 -4.141 1.00 10.00 N ATOM 792 CA LYS A 52 10.776 6.175 -5.464 1.00 10.00 C ATOM 793 C LYS A 52 9.716 5.800 -6.490 1.00 10.00 C ATOM 794 O LYS A 52 9.478 6.535 -7.450 1.00 10.00 O ATOM 795 CB LYS A 52 12.136 5.631 -5.900 1.00 10.00 C ATOM 796 CG LYS A 52 13.286 6.108 -5.031 1.00 10.00 C ATOM 797 CD LYS A 52 14.594 5.463 -5.448 1.00 10.00 C ATOM 798 CE LYS A 52 15.700 5.756 -4.448 1.00 10.00 C ATOM 799 NZ LYS A 52 16.871 4.868 -4.649 1.00 10.00 N ATOM 0 H LYS A 52 10.847 4.772 -3.909 1.00 10.00 H new ATOM 0 HA LYS A 52 10.827 7.262 -5.405 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.105 4.542 -5.882 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.323 5.928 -6.932 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.373 7.192 -5.102 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.078 5.873 -3.987 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.458 4.385 -5.537 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.885 5.830 -6.432 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.011 6.796 -4.544 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.317 5.630 -3.435 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.605 5.097 -3.949 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.579 3.877 -4.532 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.251 5.007 -5.607 1.00 10.00 H new ATOM 813 N ASP A 53 9.093 4.649 -6.302 1.00 10.00 N ATOM 814 CA ASP A 53 8.063 4.194 -7.220 1.00 10.00 C ATOM 815 C ASP A 53 6.727 4.835 -6.881 1.00 10.00 C ATOM 816 O ASP A 53 5.946 5.170 -7.772 1.00 10.00 O ATOM 817 CB ASP A 53 7.954 2.667 -7.199 1.00 10.00 C ATOM 818 CG ASP A 53 9.038 1.999 -8.025 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.958 2.044 -9.268 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.976 1.419 -7.436 1.00 10.00 O ATOM 0 H ASP A 53 9.281 4.015 -5.526 1.00 10.00 H new ATOM 0 HA ASP A 53 8.343 4.499 -8.228 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.017 2.315 -6.169 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.976 2.370 -7.579 1.00 10.00 H new ATOM 825 N ALA A 54 6.474 5.021 -5.593 1.00 10.00 N ATOM 826 CA ALA A 54 5.237 5.641 -5.146 1.00 10.00 C ATOM 827 C ALA A 54 5.340 7.159 -5.260 1.00 10.00 C ATOM 828 O ALA A 54 6.237 7.769 -4.677 1.00 10.00 O ATOM 829 CB ALA A 54 4.919 5.236 -3.715 1.00 10.00 C ATOM 0 H ALA A 54 7.108 4.752 -4.841 1.00 10.00 H new ATOM 0 HA ALA A 54 4.425 5.295 -5.786 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.990 5.711 -3.400 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.810 4.153 -3.659 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.729 5.554 -3.058 1.00 10.00 H new ATOM 835 N PRO A 55 4.435 7.786 -6.032 1.00 10.00 N ATOM 836 CA PRO A 55 4.428 9.243 -6.223 1.00 10.00 C ATOM 837 C PRO A 55 4.232 9.999 -4.911 1.00 10.00 C ATOM 838 O PRO A 55 3.534 9.526 -4.013 1.00 10.00 O ATOM 839 CB PRO A 55 3.233 9.484 -7.150 1.00 10.00 C ATOM 840 CG PRO A 55 2.940 8.167 -7.780 1.00 10.00 C ATOM 841 CD PRO A 55 3.357 7.124 -6.785 1.00 10.00 C ATOM 0 HA PRO A 55 5.376 9.599 -6.626 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.372 9.851 -6.591 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.468 10.235 -7.904 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.880 8.076 -8.017 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.487 8.053 -8.716 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.531 6.835 -6.135 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.708 6.217 -7.277 1.00 10.00 H new ATOM 849 N LYS A 56 4.835 11.184 -4.818 1.00 10.00 N ATOM 850 CA LYS A 56 4.734 12.017 -3.621 1.00 10.00 C ATOM 851 C LYS A 56 3.277 12.321 -3.287 1.00 10.00 C ATOM 852 O LYS A 56 2.911 12.448 -2.117 1.00 10.00 O ATOM 853 CB LYS A 56 5.509 13.324 -3.817 1.00 10.00 C ATOM 854 CG LYS A 56 7.019 13.157 -3.746 1.00 10.00 C ATOM 855 CD LYS A 56 7.740 14.440 -4.127 1.00 10.00 C ATOM 856 CE LYS A 56 9.246 14.284 -3.998 1.00 10.00 C ATOM 857 NZ LYS A 56 9.978 15.395 -4.658 1.00 10.00 N ATOM 0 H LYS A 56 5.402 11.590 -5.562 1.00 10.00 H new ATOM 0 HA LYS A 56 5.169 11.465 -2.788 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.245 13.751 -4.785 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.195 14.039 -3.057 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.306 12.863 -2.737 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.329 12.352 -4.413 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.487 14.712 -5.152 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.400 15.255 -3.488 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.518 14.247 -2.943 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.552 13.335 -4.440 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 11.002 15.250 -4.547 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.739 15.415 -5.670 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.706 16.298 -4.220 1.00 10.00 H new ATOM 871 N GLU A 57 2.453 12.426 -4.322 1.00 10.00 N ATOM 872 CA GLU A 57 1.035 12.696 -4.150 1.00 10.00 C ATOM 873 C GLU A 57 0.379 11.585 -3.333 1.00 10.00 C ATOM 874 O GLU A 57 -0.348 11.848 -2.373 1.00 10.00 O ATOM 875 CB GLU A 57 0.355 12.812 -5.513 1.00 10.00 C ATOM 876 CG GLU A 57 -1.142 13.059 -5.429 1.00 10.00 C ATOM 877 CD GLU A 57 -1.927 12.216 -6.410 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.349 11.785 -7.427 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.132 11.984 -6.171 1.00 10.00 O ATOM 0 H GLU A 57 2.747 12.327 -5.294 1.00 10.00 H new ATOM 0 HA GLU A 57 0.922 13.639 -3.615 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.818 13.625 -6.072 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.532 11.896 -6.077 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.485 12.846 -4.417 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.344 14.113 -5.619 1.00 10.00 H new ATOM 886 N LEU A 58 0.658 10.343 -3.712 1.00 10.00 N ATOM 887 CA LEU A 58 0.102 9.193 -3.014 1.00 10.00 C ATOM 888 C LEU A 58 0.811 9.000 -1.681 1.00 10.00 C ATOM 889 O LEU A 58 0.216 8.532 -0.714 1.00 10.00 O ATOM 890 CB LEU A 58 0.229 7.925 -3.863 1.00 10.00 C ATOM 891 CG LEU A 58 -0.388 8.007 -5.263 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.313 6.658 -5.958 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.830 8.484 -5.192 1.00 10.00 C ATOM 0 H LEU A 58 1.265 10.108 -4.497 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.957 9.380 -2.834 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.286 7.680 -3.964 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.239 7.100 -3.326 1.00 10.00 H new ATOM 0 HG LEU A 58 0.184 8.731 -5.843 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.756 6.735 -6.951 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.729 6.353 -6.048 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.859 5.917 -5.374 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.247 8.534 -6.198 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.415 7.787 -4.592 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.864 9.473 -4.735 1.00 10.00 H new ATOM 905 N LEU A 59 2.086 9.371 -1.646 1.00 10.00 N ATOM 906 CA LEU A 59 2.899 9.263 -0.438 1.00 10.00 C ATOM 907 C LEU A 59 2.271 10.062 0.699 1.00 10.00 C ATOM 908 O LEU A 59 2.246 9.619 1.847 1.00 10.00 O ATOM 909 CB LEU A 59 4.318 9.766 -0.716 1.00 10.00 C ATOM 910 CG LEU A 59 5.448 8.909 -0.148 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.407 7.509 -0.740 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.794 9.562 -0.420 1.00 10.00 C ATOM 0 H LEU A 59 2.584 9.753 -2.450 1.00 10.00 H new ATOM 0 HA LEU A 59 2.946 8.216 -0.140 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.452 9.842 -1.795 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.412 10.774 -0.311 1.00 10.00 H new ATOM 0 HG LEU A 59 5.312 8.829 0.931 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.219 6.914 -0.323 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.453 7.040 -0.499 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.519 7.568 -1.823 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.590 8.940 -0.010 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.936 9.669 -1.495 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.823 10.545 0.050 1.00 10.00 H new ATOM 924 N GLN A 60 1.751 11.239 0.362 1.00 10.00 N ATOM 925 CA GLN A 60 1.108 12.104 1.339 1.00 10.00 C ATOM 926 C GLN A 60 -0.189 11.467 1.837 1.00 10.00 C ATOM 927 O GLN A 60 -0.578 11.641 2.991 1.00 10.00 O ATOM 928 CB GLN A 60 0.831 13.479 0.726 1.00 10.00 C ATOM 929 CG GLN A 60 0.255 14.486 1.712 1.00 10.00 C ATOM 930 CD GLN A 60 1.147 14.721 2.920 1.00 10.00 C ATOM 931 OE1 GLN A 60 0.656 14.930 4.029 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.454 14.718 2.716 1.00 10.00 N ATOM 0 H GLN A 60 1.764 11.615 -0.586 1.00 10.00 H new ATOM 0 HA GLN A 60 1.778 12.233 2.189 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.759 13.877 0.315 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.137 13.362 -0.107 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.092 15.434 1.199 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.720 14.135 2.051 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.824 14.541 1.782 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.092 14.893 3.493 1.00 10.00 H new ATOM 941 N MET A 61 -0.848 10.716 0.962 1.00 10.00 N ATOM 942 CA MET A 61 -2.087 10.037 1.322 1.00 10.00 C ATOM 943 C MET A 61 -1.791 8.904 2.291 1.00 10.00 C ATOM 944 O MET A 61 -2.589 8.603 3.179 1.00 10.00 O ATOM 945 CB MET A 61 -2.788 9.481 0.082 1.00 10.00 C ATOM 946 CG MET A 61 -3.208 10.548 -0.912 1.00 10.00 C ATOM 947 SD MET A 61 -3.854 9.855 -2.448 1.00 10.00 S ATOM 948 CE MET A 61 -5.400 9.147 -1.886 1.00 10.00 C ATOM 0 H MET A 61 -0.546 10.562 0.000 1.00 10.00 H new ATOM 0 HA MET A 61 -2.748 10.763 1.796 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.122 8.776 -0.415 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.669 8.921 0.394 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.968 11.183 -0.457 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.353 11.185 -1.137 1.00 10.00 H new ATOM 0 HE1 MET A 61 -5.836 8.546 -2.684 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.216 8.516 -1.016 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.089 9.947 -1.615 1.00 10.00 H new ATOM 958 N LEU A 62 -0.631 8.288 2.112 1.00 10.00 N ATOM 959 CA LEU A 62 -0.196 7.190 2.964 1.00 10.00 C ATOM 960 C LEU A 62 0.109 7.692 4.368 1.00 10.00 C ATOM 961 O LEU A 62 -0.053 6.963 5.342 1.00 10.00 O ATOM 962 CB LEU A 62 1.041 6.514 2.370 1.00 10.00 C ATOM 963 CG LEU A 62 0.850 5.915 0.977 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.146 5.291 0.481 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.271 4.887 0.987 1.00 10.00 C ATOM 0 H LEU A 62 0.032 8.533 1.377 1.00 10.00 H new ATOM 0 HA LEU A 62 -1.004 6.460 3.022 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.849 7.245 2.326 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.363 5.723 3.047 1.00 10.00 H new ATOM 0 HG LEU A 62 0.573 6.717 0.293 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.990 4.870 -0.512 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.923 6.054 0.434 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.455 4.501 1.166 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.392 4.471 -0.013 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.025 4.087 1.685 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.200 5.365 1.296 1.00 10.00 H new ATOM 977 N GLU A 63 0.534 8.947 4.461 1.00 10.00 N ATOM 978 CA GLU A 63 0.850 9.556 5.744 1.00 10.00 C ATOM 979 C GLU A 63 -0.403 9.668 6.608 1.00 10.00 C ATOM 980 O GLU A 63 -0.321 9.704 7.833 1.00 10.00 O ATOM 981 CB GLU A 63 1.468 10.941 5.539 1.00 10.00 C ATOM 982 CG GLU A 63 2.840 10.909 4.884 1.00 10.00 C ATOM 983 CD GLU A 63 3.868 10.185 5.728 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.417 10.800 6.663 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.144 8.998 5.456 1.00 10.00 O ATOM 0 H GLU A 63 0.667 9.563 3.659 1.00 10.00 H new ATOM 0 HA GLU A 63 1.572 8.919 6.256 1.00 10.00 H new ATOM 0 HB2 GLU A 63 0.796 11.541 4.925 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.548 11.440 6.505 1.00 10.00 H new ATOM 0 HG2 GLU A 63 2.764 10.421 3.912 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.177 11.930 4.703 1.00 10.00 H new ATOM 992 N LYS A 64 -1.562 9.704 5.957 1.00 10.00 N ATOM 993 CA LYS A 64 -2.836 9.805 6.659 1.00 10.00 C ATOM 994 C LYS A 64 -3.223 8.461 7.266 1.00 10.00 C ATOM 995 O LYS A 64 -3.939 8.398 8.264 1.00 10.00 O ATOM 996 CB LYS A 64 -3.931 10.277 5.701 1.00 10.00 C ATOM 997 CG LYS A 64 -3.588 11.577 4.989 1.00 10.00 C ATOM 998 CD LYS A 64 -4.666 11.979 3.998 1.00 10.00 C ATOM 999 CE LYS A 64 -4.274 13.243 3.248 1.00 10.00 C ATOM 1000 NZ LYS A 64 -5.381 13.761 2.403 1.00 10.00 N ATOM 0 H LYS A 64 -1.644 9.665 4.941 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.727 10.533 7.463 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -4.113 9.501 4.958 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.859 10.409 6.258 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -3.456 12.370 5.725 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.638 11.466 4.467 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.833 11.168 3.289 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.607 12.141 4.524 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.976 14.010 3.963 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -3.407 13.037 2.621 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -5.068 14.622 1.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.650 13.041 1.703 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -6.201 13.983 3.003 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.739 7.388 6.657 1.00 10.00 N ATOM 1015 CA GLN A 65 -3.028 6.038 7.128 1.00 10.00 C ATOM 1016 C GLN A 65 -1.823 5.469 7.871 1.00 10.00 C ATOM 1017 O GLN A 65 -1.817 4.306 8.284 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.402 5.134 5.949 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.644 5.593 5.200 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.905 5.483 6.033 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.788 6.337 5.961 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.008 4.425 6.820 1.00 10.00 N ATOM 0 H GLN A 65 -2.141 7.425 5.831 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.873 6.081 7.816 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.563 5.092 5.254 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.563 4.120 6.316 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.511 6.628 4.885 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.758 4.996 4.295 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -5.254 3.738 6.853 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -6.841 4.296 7.394 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.809 6.303 8.032 1.00 10.00 N ATOM 1032 CA LYS A 66 0.407 5.917 8.725 1.00 10.00 C ATOM 1033 C LYS A 66 0.145 5.828 10.220 1.00 10.00 C ATOM 1034 O LYS A 66 -0.019 6.844 10.895 1.00 10.00 O ATOM 1035 CB LYS A 66 1.513 6.930 8.430 1.00 10.00 C ATOM 1036 CG LYS A 66 2.850 6.606 9.081 1.00 10.00 C ATOM 1037 CD LYS A 66 3.884 7.691 8.811 1.00 10.00 C ATOM 1038 CE LYS A 66 3.518 9.001 9.492 1.00 10.00 C ATOM 1039 NZ LYS A 66 4.501 10.078 9.197 1.00 10.00 N ATOM 0 H LYS A 66 -0.806 7.263 7.687 1.00 10.00 H new ATOM 0 HA LYS A 66 0.729 4.937 8.373 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.653 6.993 7.351 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.187 7.914 8.767 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.713 6.493 10.156 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.217 5.651 8.704 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.860 7.358 9.163 1.00 10.00 H new ATOM 0 HD3 LYS A 66 3.971 7.852 7.736 1.00 10.00 H new ATOM 0 HE2 LYS A 66 2.527 9.315 9.164 1.00 10.00 H new ATOM 0 HE3 LYS A 66 3.463 8.846 10.570 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.459 10.800 9.944 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.458 9.674 9.160 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.274 10.514 8.281 1.00 10.00 H new ATOM 1053 N LYS A 67 0.096 4.606 10.727 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.173 4.377 12.142 1.00 10.00 C ATOM 1055 C LYS A 67 0.935 3.549 12.785 1.00 10.00 C ATOM 1056 O LYS A 67 1.775 2.972 12.088 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.525 3.677 12.312 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.688 4.451 11.710 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.964 3.626 11.687 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.104 4.393 11.029 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.388 3.639 11.061 1.00 10.00 N ATOM 0 H LYS A 67 0.239 3.756 10.181 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.205 5.344 12.644 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.476 2.692 11.849 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.714 3.521 13.374 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.855 5.362 12.285 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.434 4.757 10.695 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.789 2.695 11.147 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.244 3.356 12.705 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.235 5.349 11.535 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.841 4.613 9.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.173 4.279 10.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.353 2.864 10.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.537 3.247 12.013 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.540 -12.612 -0.602 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.287 -12.608 -1.337 1.00 10.00 C ATOM 1107 C GLU B 6 0.899 -12.705 -0.383 1.00 10.00 C ATOM 1108 O GLU B 6 0.742 -12.590 0.835 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.174 -11.348 -2.204 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.069 -10.050 -1.412 1.00 10.00 C ATOM 1111 CD GLU B 6 -1.400 -9.597 -0.847 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.151 -8.904 -1.566 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -1.705 -9.944 0.315 1.00 10.00 O ATOM 0 HA GLU B 6 -0.274 -13.480 -1.991 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.702 -11.440 -2.846 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.044 -11.292 -2.858 1.00 10.00 H new ATOM 0 HG2 GLU B 6 0.640 -10.185 -0.595 1.00 10.00 H new ATOM 0 HG3 GLU B 6 0.332 -9.268 -2.057 1.00 10.00 H new ATOM 1120 N GLU B 7 2.077 -12.933 -0.941 1.00 10.00 N ATOM 1121 CA GLU B 7 3.296 -13.039 -0.153 1.00 10.00 C ATOM 1122 C GLU B 7 4.374 -12.143 -0.742 1.00 10.00 C ATOM 1123 O GLU B 7 4.359 -11.857 -1.940 1.00 10.00 O ATOM 1124 CB GLU B 7 3.770 -14.492 -0.109 1.00 10.00 C ATOM 1125 CG GLU B 7 2.784 -15.424 0.577 1.00 10.00 C ATOM 1126 CD GLU B 7 3.087 -16.885 0.336 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.032 -17.410 0.960 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.378 -17.520 -0.473 1.00 10.00 O ATOM 0 H GLU B 7 2.216 -13.049 -1.945 1.00 10.00 H new ATOM 0 HA GLU B 7 3.091 -12.713 0.866 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.943 -14.842 -1.127 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.727 -14.540 0.411 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.794 -15.229 1.649 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.777 -15.204 0.222 1.00 10.00 H new ATOM 1135 N GLU B 8 5.299 -11.691 0.098 1.00 10.00 N ATOM 1136 CA GLU B 8 6.374 -10.815 -0.355 1.00 10.00 C ATOM 1137 C GLU B 8 7.742 -11.376 0.015 1.00 10.00 C ATOM 1138 O GLU B 8 7.851 -12.475 0.566 1.00 10.00 O ATOM 1139 CB GLU B 8 6.225 -9.418 0.249 1.00 10.00 C ATOM 1140 CG GLU B 8 4.818 -8.854 0.172 1.00 10.00 C ATOM 1141 CD GLU B 8 4.800 -7.346 0.262 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.655 -6.695 -0.793 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.939 -6.813 1.389 1.00 10.00 O ATOM 0 H GLU B 8 5.326 -11.916 1.093 1.00 10.00 H new ATOM 0 HA GLU B 8 6.302 -10.752 -1.441 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.534 -9.451 1.294 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.906 -8.738 -0.264 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.355 -9.166 -0.764 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.217 -9.271 0.980 1.00 10.00 H new ATOM 1150 N GLY B 9 8.779 -10.603 -0.272 1.00 10.00 N ATOM 1151 CA GLY B 9 10.129 -11.022 0.030 1.00 10.00 C ATOM 1152 C GLY B 9 11.138 -10.031 -0.496 1.00 10.00 C ATOM 1153 O GLY B 9 11.886 -10.323 -1.428 1.00 10.00 O ATOM 0 H GLY B 9 8.706 -9.686 -0.712 1.00 10.00 H new ATOM 0 HA2 GLY B 9 10.247 -11.128 1.108 1.00 10.00 H new ATOM 0 HA3 GLY B 9 10.315 -12.002 -0.409 1.00 10.00 H new ATOM 1157 N GLU B 10 11.138 -8.848 0.088 1.00 10.00 N ATOM 1158 CA GLU B 10 12.041 -7.792 -0.326 1.00 10.00 C ATOM 1159 C GLU B 10 13.172 -7.633 0.672 1.00 10.00 C ATOM 1160 O GLU B 10 12.937 -7.458 1.868 1.00 10.00 O ATOM 1161 CB GLU B 10 11.287 -6.469 -0.448 1.00 10.00 C ATOM 1162 CG GLU B 10 10.707 -6.195 -1.830 1.00 10.00 C ATOM 1163 CD GLU B 10 10.019 -7.398 -2.455 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.365 -7.747 -3.605 1.00 10.00 O ATOM 1165 OE2 GLU B 10 9.138 -8.003 -1.812 1.00 10.00 O ATOM 0 H GLU B 10 10.517 -8.593 0.856 1.00 10.00 H new ATOM 0 HA GLU B 10 12.457 -8.064 -1.296 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.476 -6.459 0.280 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.962 -5.655 -0.184 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.992 -5.376 -1.758 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.508 -5.862 -2.491 1.00 10.00 H new ATOM 1172 N GLU B 11 14.393 -7.692 0.175 1.00 10.00 N ATOM 1173 CA GLU B 11 15.555 -7.539 1.022 1.00 10.00 C ATOM 1174 C GLU B 11 15.992 -6.083 1.021 1.00 10.00 C ATOM 1175 O GLU B 11 16.076 -5.456 -0.036 1.00 10.00 O ATOM 1176 CB GLU B 11 16.692 -8.431 0.532 1.00 10.00 C ATOM 1177 CG GLU B 11 17.763 -8.677 1.578 1.00 10.00 C ATOM 1178 CD GLU B 11 17.225 -9.404 2.791 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.952 -8.739 3.811 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.067 -10.640 2.726 1.00 10.00 O ATOM 0 H GLU B 11 14.603 -7.845 -0.811 1.00 10.00 H new ATOM 0 HA GLU B 11 15.299 -7.838 2.038 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.280 -9.389 0.213 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.150 -7.973 -0.345 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.571 -9.260 1.137 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.190 -7.724 1.889 1.00 10.00 H new ATOM 1187 N TYR B 12 16.250 -5.542 2.198 1.00 10.00 N ATOM 1188 CA TYR B 12 16.680 -4.155 2.314 1.00 10.00 C ATOM 1189 C TYR B 12 18.153 -4.014 1.935 1.00 10.00 C ATOM 1190 O TYR B 12 18.883 -5.008 1.840 1.00 10.00 O ATOM 1191 CB TYR B 12 16.451 -3.642 3.736 1.00 10.00 C ATOM 1192 CG TYR B 12 16.098 -2.172 3.801 1.00 10.00 C ATOM 1193 CD1 TYR B 12 17.016 -1.200 3.423 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.846 -1.757 4.240 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.697 0.141 3.473 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.518 -0.416 4.296 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.452 0.532 3.913 1.00 10.00 C ATOM 1198 OH TYR B 12 15.138 1.873 3.956 1.00 10.00 O ATOM 0 H TYR B 12 16.170 -6.038 3.086 1.00 10.00 H new ATOM 0 HA TYR B 12 16.086 -3.555 1.625 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.650 -4.220 4.197 1.00 10.00 H new ATOM 0 HB3 TYR B 12 17.351 -3.817 4.326 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.997 -1.500 3.084 1.00 10.00 H new ATOM 0 HD2 TYR B 12 14.118 -2.495 4.542 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.421 0.882 3.168 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.540 -0.109 4.636 1.00 10.00 H new ATOM 0 HH TYR B 12 15.632 2.347 3.255 1.00 10.00 H new