USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 1 ASP N :NH3+ -171:sc=-0.00581 (180deg=-0.14) USER MOD Single : A 2 SER OG : rot -81:sc= 0.0627 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -8:sc= -8.54! USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -0.016 (180deg=-0.209) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -13.8! C(o=-14!,f=-18!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.582 K(o=0.58,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.28 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -122:sc= 0.454 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.850 9.676 1.984 1.00 0.00 N ATOM 2 CA ASP A 1 -9.031 10.744 1.342 1.00 0.00 C ATOM 3 C ASP A 1 -7.792 10.127 0.684 1.00 0.00 C ATOM 4 O ASP A 1 -7.293 10.631 -0.303 1.00 0.00 O ATOM 5 CB ASP A 1 -8.590 11.757 2.400 1.00 0.00 C ATOM 6 CG ASP A 1 -9.029 13.158 1.973 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.368 13.730 1.124 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.018 13.635 2.504 1.00 0.00 O ATOM 0 H1 ASP A 1 -10.759 10.075 2.294 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.022 8.912 1.300 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.340 9.295 2.807 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.631 11.245 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.028 11.505 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.507 11.724 2.522 1.00 0.00 H new ATOM 15 N SER A 2 -7.289 9.047 1.219 1.00 0.00 N ATOM 16 CA SER A 2 -6.083 8.413 0.621 1.00 0.00 C ATOM 17 C SER A 2 -6.502 7.244 -0.269 1.00 0.00 C ATOM 18 O SER A 2 -7.642 6.823 -0.265 1.00 0.00 O ATOM 19 CB SER A 2 -5.188 7.897 1.741 1.00 0.00 C ATOM 20 OG SER A 2 -5.992 7.535 2.856 1.00 0.00 O ATOM 0 H SER A 2 -7.662 8.578 2.044 1.00 0.00 H new ATOM 0 HA SER A 2 -5.545 9.147 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.615 7.036 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.469 8.664 2.030 1.00 0.00 H new ATOM 0 HG SER A 2 -6.218 8.338 3.371 1.00 0.00 H new ATOM 26 N ILE A 3 -5.588 6.722 -1.040 1.00 0.00 N ATOM 27 CA ILE A 3 -5.922 5.593 -1.937 1.00 0.00 C ATOM 28 C ILE A 3 -5.657 4.264 -1.223 1.00 0.00 C ATOM 29 O ILE A 3 -4.660 4.094 -0.556 1.00 0.00 O ATOM 30 CB ILE A 3 -5.051 5.667 -3.193 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.357 6.950 -3.964 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.331 4.461 -4.092 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.458 7.023 -5.201 1.00 0.00 C ATOM 0 H ILE A 3 -4.618 7.035 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.975 5.654 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.003 5.663 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.406 6.968 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.191 7.819 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.708 4.520 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.104 3.543 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.382 4.460 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.673 7.937 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.413 7.024 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.647 6.160 -5.839 1.00 0.00 H new ATOM 45 N THR A 4 -6.537 3.314 -1.379 1.00 0.00 N ATOM 46 CA THR A 4 -6.332 1.983 -0.737 1.00 0.00 C ATOM 47 C THR A 4 -6.559 0.913 -1.800 1.00 0.00 C ATOM 48 O THR A 4 -7.643 0.785 -2.334 1.00 0.00 O ATOM 49 CB THR A 4 -7.331 1.787 0.411 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.073 2.739 1.437 1.00 0.00 O ATOM 51 CG2 THR A 4 -7.189 0.375 0.981 1.00 0.00 C ATOM 0 H THR A 4 -7.394 3.402 -1.926 1.00 0.00 H new ATOM 0 HA THR A 4 -5.323 1.915 -0.329 1.00 0.00 H new ATOM 0 HB THR A 4 -8.344 1.926 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.713 2.613 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.900 0.239 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.391 -0.356 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.175 0.234 1.356 1.00 0.00 H new ATOM 59 N TYR A 5 -5.549 0.158 -2.140 1.00 0.00 N ATOM 60 CA TYR A 5 -5.739 -0.871 -3.199 1.00 0.00 C ATOM 61 C TYR A 5 -5.518 -2.270 -2.648 1.00 0.00 C ATOM 62 O TYR A 5 -4.648 -2.508 -1.838 1.00 0.00 O ATOM 63 CB TYR A 5 -4.777 -0.588 -4.355 1.00 0.00 C ATOM 64 CG TYR A 5 -3.462 -1.328 -4.209 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.359 -2.690 -4.534 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.317 -0.623 -3.818 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.127 -3.332 -4.460 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.080 -1.271 -3.757 1.00 0.00 C ATOM 69 CZ TYR A 5 -0.988 -2.625 -4.081 1.00 0.00 C ATOM 70 OH TYR A 5 0.229 -3.264 -4.035 1.00 0.00 O ATOM 0 H TYR A 5 -4.614 0.208 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.766 -0.820 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.249 -0.874 -5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.584 0.483 -4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.236 -3.239 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.390 0.424 -3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.053 -4.383 -4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.197 -0.725 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 5 0.099 -4.226 -4.169 1.00 0.00 H new ATOM 80 N ARG A 6 -6.307 -3.205 -3.096 1.00 0.00 N ATOM 81 CA ARG A 6 -6.148 -4.595 -2.611 1.00 0.00 C ATOM 82 C ARG A 6 -5.181 -5.330 -3.523 1.00 0.00 C ATOM 83 O ARG A 6 -5.362 -5.408 -4.721 1.00 0.00 O ATOM 84 CB ARG A 6 -7.502 -5.306 -2.605 1.00 0.00 C ATOM 85 CG ARG A 6 -7.957 -5.522 -1.162 1.00 0.00 C ATOM 86 CD ARG A 6 -9.282 -4.793 -0.933 1.00 0.00 C ATOM 87 NE ARG A 6 -10.359 -5.463 -1.713 1.00 0.00 N ATOM 88 CZ ARG A 6 -11.375 -5.999 -1.096 1.00 0.00 C ATOM 89 NH1 ARG A 6 -12.485 -5.328 -0.962 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.280 -7.208 -0.611 1.00 0.00 N ATOM 0 H ARG A 6 -7.053 -3.063 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.756 -4.584 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.239 -4.712 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.425 -6.263 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.076 -6.587 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.200 -5.150 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.532 -4.795 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.193 -3.750 -1.237 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.302 -5.503 -2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.559 -4.383 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.280 -5.748 -0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.411 -7.732 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.074 -7.628 -0.128 1.00 0.00 H new ATOM 104 N VAL A 7 -4.150 -5.860 -2.951 1.00 0.00 N ATOM 105 CA VAL A 7 -3.139 -6.588 -3.749 1.00 0.00 C ATOM 106 C VAL A 7 -3.648 -7.996 -4.034 1.00 0.00 C ATOM 107 O VAL A 7 -3.759 -8.809 -3.152 1.00 0.00 O ATOM 108 CB VAL A 7 -1.860 -6.647 -2.924 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.681 -7.050 -3.804 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.593 -5.262 -2.338 1.00 0.00 C ATOM 0 H VAL A 7 -3.960 -5.820 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.950 -6.088 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.977 -7.384 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.226 -7.088 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.870 -8.032 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.556 -6.318 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.679 -5.288 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.479 -4.540 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.430 -4.968 -1.704 1.00 0.00 H new ATOM 120 N ARG A 8 -3.964 -8.285 -5.261 1.00 0.00 N ATOM 121 CA ARG A 8 -4.479 -9.643 -5.600 1.00 0.00 C ATOM 122 C ARG A 8 -3.349 -10.491 -6.172 1.00 0.00 C ATOM 123 O ARG A 8 -2.341 -9.976 -6.605 1.00 0.00 O ATOM 124 CB ARG A 8 -5.598 -9.518 -6.635 1.00 0.00 C ATOM 125 CG ARG A 8 -6.952 -9.661 -5.940 1.00 0.00 C ATOM 126 CD ARG A 8 -7.934 -10.369 -6.875 1.00 0.00 C ATOM 127 NE ARG A 8 -9.067 -10.918 -6.079 1.00 0.00 N ATOM 128 CZ ARG A 8 -10.218 -10.302 -6.072 1.00 0.00 C ATOM 129 NH1 ARG A 8 -10.516 -9.484 -5.101 1.00 0.00 N ATOM 130 NH2 ARG A 8 -11.071 -10.506 -7.040 1.00 0.00 N ATOM 0 H ARG A 8 -3.889 -7.641 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.867 -10.119 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.536 -8.554 -7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.487 -10.286 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.840 -10.228 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.338 -8.679 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.307 -9.671 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.428 -11.173 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.944 -11.775 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.849 -9.325 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.416 -9.003 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.837 -11.146 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.971 -10.026 -7.036 1.00 0.00 H new ATOM 144 N LYS A 9 -3.495 -11.790 -6.171 1.00 0.00 N ATOM 145 CA LYS A 9 -2.410 -12.654 -6.718 1.00 0.00 C ATOM 146 C LYS A 9 -2.095 -12.205 -8.143 1.00 0.00 C ATOM 147 O LYS A 9 -2.978 -11.878 -8.913 1.00 0.00 O ATOM 148 CB LYS A 9 -2.858 -14.114 -6.738 1.00 0.00 C ATOM 149 CG LYS A 9 -2.912 -14.651 -5.308 1.00 0.00 C ATOM 150 CD LYS A 9 -3.178 -16.157 -5.335 1.00 0.00 C ATOM 151 CE LYS A 9 -4.684 -16.409 -5.431 1.00 0.00 C ATOM 152 NZ LYS A 9 -5.316 -16.168 -4.104 1.00 0.00 N ATOM 0 H LYS A 9 -4.313 -12.286 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.525 -12.565 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.839 -14.198 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.167 -14.709 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.971 -14.447 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.697 -14.143 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.668 -16.612 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.777 -16.624 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.126 -15.752 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.872 -17.433 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.246 -16.633 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.709 -16.557 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.436 -15.145 -3.957 1.00 0.00 H new ATOM 166 N GLY A 10 -0.842 -12.167 -8.493 1.00 0.00 N ATOM 167 CA GLY A 10 -0.465 -11.714 -9.860 1.00 0.00 C ATOM 168 C GLY A 10 -0.339 -10.184 -9.881 1.00 0.00 C ATOM 169 O GLY A 10 0.096 -9.606 -10.857 1.00 0.00 O ATOM 0 H GLY A 10 -0.061 -12.430 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.479 -12.171 -10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.216 -12.037 -10.581 1.00 0.00 H new ATOM 173 N ASP A 11 -0.715 -9.516 -8.816 1.00 0.00 N ATOM 174 CA ASP A 11 -0.611 -8.031 -8.790 1.00 0.00 C ATOM 175 C ASP A 11 0.798 -7.634 -8.363 1.00 0.00 C ATOM 176 O ASP A 11 1.460 -8.344 -7.635 1.00 0.00 O ATOM 177 CB ASP A 11 -1.615 -7.452 -7.790 1.00 0.00 C ATOM 178 CG ASP A 11 -3.031 -7.529 -8.369 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.297 -8.447 -9.127 1.00 0.00 O ATOM 180 OD2 ASP A 11 -3.828 -6.665 -8.041 1.00 0.00 O ATOM 0 H ASP A 11 -1.089 -9.939 -7.966 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.826 -7.641 -9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.566 -8.004 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.361 -6.416 -7.564 1.00 0.00 H new ATOM 185 N SER A 12 1.258 -6.499 -8.804 1.00 0.00 N ATOM 186 CA SER A 12 2.622 -6.050 -8.420 1.00 0.00 C ATOM 187 C SER A 12 2.521 -4.676 -7.765 1.00 0.00 C ATOM 188 O SER A 12 1.803 -3.821 -8.221 1.00 0.00 O ATOM 189 CB SER A 12 3.504 -5.965 -9.664 1.00 0.00 C ATOM 190 OG SER A 12 4.334 -7.115 -9.730 1.00 0.00 O ATOM 0 H SER A 12 0.747 -5.862 -9.415 1.00 0.00 H new ATOM 0 HA SER A 12 3.063 -6.761 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.885 -5.897 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.115 -5.063 -9.630 1.00 0.00 H new ATOM 0 HG SER A 12 4.900 -7.064 -10.528 1.00 0.00 H new ATOM 196 N LEU A 13 3.243 -4.465 -6.704 1.00 0.00 N ATOM 197 CA LEU A 13 3.208 -3.144 -6.004 1.00 0.00 C ATOM 198 C LEU A 13 3.421 -2.030 -7.028 1.00 0.00 C ATOM 199 O LEU A 13 2.590 -1.151 -7.183 1.00 0.00 O ATOM 200 CB LEU A 13 4.320 -3.132 -4.952 1.00 0.00 C ATOM 201 CG LEU A 13 3.843 -3.838 -3.670 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.739 -3.023 -3.016 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.281 -5.228 -3.986 1.00 0.00 C ATOM 0 H LEU A 13 3.864 -5.156 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 13 2.246 -2.986 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.207 -3.631 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.606 -2.105 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 13 4.700 -3.934 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.404 -3.526 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.119 -2.033 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.902 -2.925 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.951 -5.705 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.436 -5.132 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.056 -5.836 -4.452 1.00 0.00 H new ATOM 215 N SER A 14 4.507 -2.069 -7.745 1.00 0.00 N ATOM 216 CA SER A 14 4.756 -1.015 -8.764 1.00 0.00 C ATOM 217 C SER A 14 3.643 -1.049 -9.826 1.00 0.00 C ATOM 218 O SER A 14 3.155 -0.022 -10.266 1.00 0.00 O ATOM 219 CB SER A 14 6.106 -1.267 -9.436 1.00 0.00 C ATOM 220 OG SER A 14 7.145 -0.787 -8.592 1.00 0.00 O ATOM 0 H SER A 14 5.231 -2.783 -7.670 1.00 0.00 H new ATOM 0 HA SER A 14 4.764 -0.039 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.238 -2.332 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.144 -0.764 -10.402 1.00 0.00 H new ATOM 0 HG SER A 14 8.013 -0.948 -9.018 1.00 0.00 H new ATOM 226 N SER A 15 3.243 -2.228 -10.243 1.00 0.00 N ATOM 227 CA SER A 15 2.169 -2.341 -11.277 1.00 0.00 C ATOM 228 C SER A 15 0.909 -1.633 -10.795 1.00 0.00 C ATOM 229 O SER A 15 0.316 -0.841 -11.501 1.00 0.00 O ATOM 230 CB SER A 15 1.855 -3.815 -11.531 1.00 0.00 C ATOM 231 OG SER A 15 0.788 -3.913 -12.466 1.00 0.00 O ATOM 0 H SER A 15 3.616 -3.117 -9.910 1.00 0.00 H new ATOM 0 HA SER A 15 2.514 -1.876 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.738 -4.326 -11.914 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.582 -4.307 -10.597 1.00 0.00 H new ATOM 0 HG SER A 15 0.585 -4.857 -12.633 1.00 0.00 H new ATOM 237 N ILE A 16 0.509 -1.906 -9.595 1.00 0.00 N ATOM 238 CA ILE A 16 -0.701 -1.247 -9.039 1.00 0.00 C ATOM 239 C ILE A 16 -0.473 0.259 -9.067 1.00 0.00 C ATOM 240 O ILE A 16 -1.331 1.007 -9.480 1.00 0.00 O ATOM 241 CB ILE A 16 -0.944 -1.720 -7.604 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.555 -3.127 -7.621 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.920 -0.764 -6.926 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.597 -4.119 -6.962 1.00 0.00 C ATOM 0 H ILE A 16 0.970 -2.563 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.578 -1.504 -9.633 1.00 0.00 H new ATOM 0 HB ILE A 16 0.001 -1.740 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.509 -3.125 -7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.759 -3.432 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.100 -1.093 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.497 0.241 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.862 -0.756 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.038 -5.116 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.347 -4.131 -7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.416 -3.819 -5.930 1.00 0.00 H new ATOM 256 N ALA A 17 0.689 0.709 -8.658 1.00 0.00 N ATOM 257 CA ALA A 17 0.971 2.175 -8.698 1.00 0.00 C ATOM 258 C ALA A 17 0.633 2.703 -10.090 1.00 0.00 C ATOM 259 O ALA A 17 -0.005 3.720 -10.237 1.00 0.00 O ATOM 260 CB ALA A 17 2.448 2.428 -8.469 1.00 0.00 C ATOM 0 H ALA A 17 1.448 0.128 -8.301 1.00 0.00 H new ATOM 0 HA ALA A 17 0.378 2.668 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.643 3.500 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.738 2.035 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.027 1.931 -9.247 1.00 0.00 H new ATOM 266 N LYS A 18 1.079 2.013 -11.111 1.00 0.00 N ATOM 267 CA LYS A 18 0.806 2.462 -12.509 1.00 0.00 C ATOM 268 C LYS A 18 -0.691 2.738 -12.685 1.00 0.00 C ATOM 269 O LYS A 18 -1.079 3.675 -13.354 1.00 0.00 O ATOM 270 CB LYS A 18 1.238 1.369 -13.490 1.00 0.00 C ATOM 271 CG LYS A 18 2.366 1.899 -14.376 1.00 0.00 C ATOM 272 CD LYS A 18 3.676 1.907 -13.585 1.00 0.00 C ATOM 273 CE LYS A 18 4.122 3.351 -13.349 1.00 0.00 C ATOM 274 NZ LYS A 18 4.861 3.846 -14.546 1.00 0.00 N ATOM 0 H LYS A 18 1.623 1.154 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 18 1.367 3.376 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.573 0.487 -12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.392 1.061 -14.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.469 1.275 -15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.130 2.906 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.540 1.397 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.446 1.362 -14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.255 3.983 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.759 3.406 -12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.164 4.828 -14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.696 3.248 -14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.239 3.808 -15.378 1.00 0.00 H new ATOM 288 N ARG A 19 -1.531 1.938 -12.082 1.00 0.00 N ATOM 289 CA ARG A 19 -3.000 2.160 -12.203 1.00 0.00 C ATOM 290 C ARG A 19 -3.348 3.576 -11.733 1.00 0.00 C ATOM 291 O ARG A 19 -4.284 4.186 -12.211 1.00 0.00 O ATOM 292 CB ARG A 19 -3.737 1.140 -11.332 1.00 0.00 C ATOM 293 CG ARG A 19 -5.127 0.877 -11.913 1.00 0.00 C ATOM 294 CD ARG A 19 -6.172 1.648 -11.104 1.00 0.00 C ATOM 295 NE ARG A 19 -7.232 2.154 -12.020 1.00 0.00 N ATOM 296 CZ ARG A 19 -8.311 2.700 -11.531 1.00 0.00 C ATOM 297 NH1 ARG A 19 -8.216 3.673 -10.665 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.485 2.274 -11.907 1.00 0.00 N ATOM 0 H ARG A 19 -1.261 1.138 -11.509 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.301 2.042 -13.244 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.170 0.210 -11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.823 1.513 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.160 1.185 -12.958 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.347 -0.190 -11.888 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.611 1.000 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.701 2.480 -10.580 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.114 2.074 -13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.298 4.006 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.060 4.100 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.559 1.514 -12.583 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.329 2.701 -11.525 1.00 0.00 H new ATOM 312 N HIS A 20 -2.594 4.108 -10.808 1.00 0.00 N ATOM 313 CA HIS A 20 -2.871 5.488 -10.317 1.00 0.00 C ATOM 314 C HIS A 20 -1.694 6.411 -10.655 1.00 0.00 C ATOM 315 O HIS A 20 -1.618 7.516 -10.152 1.00 0.00 O ATOM 316 CB HIS A 20 -3.048 5.476 -8.792 1.00 0.00 C ATOM 317 CG HIS A 20 -3.164 4.066 -8.281 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.389 3.455 -8.062 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.219 3.140 -7.914 1.00 0.00 C ATOM 320 CE1 HIS A 20 -4.142 2.223 -7.580 1.00 0.00 C ATOM 321 NE2 HIS A 20 -2.841 1.984 -7.475 1.00 0.00 N ATOM 0 H HIS A 20 -1.797 3.645 -10.371 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.780 5.848 -10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.200 5.971 -8.319 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.939 6.041 -8.520 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.308 3.864 -8.234 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.151 3.291 -7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.911 1.514 -7.311 1.00 0.00 H new ATOM 329 N GLY A 21 -0.768 5.974 -11.477 1.00 0.00 N ATOM 330 CA GLY A 21 0.405 6.841 -11.800 1.00 0.00 C ATOM 331 C GLY A 21 1.000 7.330 -10.482 1.00 0.00 C ATOM 332 O GLY A 21 1.147 8.513 -10.250 1.00 0.00 O ATOM 0 H GLY A 21 -0.775 5.062 -11.933 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.147 6.283 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.098 7.685 -12.417 1.00 0.00 H new ATOM 336 N VAL A 22 1.300 6.417 -9.597 1.00 0.00 N ATOM 337 CA VAL A 22 1.834 6.812 -8.265 1.00 0.00 C ATOM 338 C VAL A 22 3.231 6.234 -8.030 1.00 0.00 C ATOM 339 O VAL A 22 3.742 5.463 -8.819 1.00 0.00 O ATOM 340 CB VAL A 22 0.888 6.309 -7.184 1.00 0.00 C ATOM 341 CG1 VAL A 22 -0.125 7.399 -6.853 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.146 5.068 -7.664 1.00 0.00 C ATOM 0 H VAL A 22 1.197 5.413 -9.741 1.00 0.00 H new ATOM 0 HA VAL A 22 1.909 7.899 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 22 1.469 6.056 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.804 7.042 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.398 8.286 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.695 7.650 -7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.527 4.720 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.431 5.312 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.864 4.283 -7.900 1.00 0.00 H new ATOM 352 N ASN A 23 3.858 6.620 -6.943 1.00 0.00 N ATOM 353 CA ASN A 23 5.230 6.117 -6.640 1.00 0.00 C ATOM 354 C ASN A 23 5.169 5.072 -5.523 1.00 0.00 C ATOM 355 O ASN A 23 5.175 5.388 -4.343 1.00 0.00 O ATOM 356 CB ASN A 23 6.106 7.286 -6.192 1.00 0.00 C ATOM 357 CG ASN A 23 6.651 8.016 -7.420 1.00 0.00 C ATOM 358 OD1 ASN A 23 6.040 8.945 -7.910 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.785 7.634 -7.940 1.00 0.00 N ATOM 0 H ASN A 23 3.474 7.265 -6.252 1.00 0.00 H new ATOM 0 HA ASN A 23 5.651 5.659 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.526 7.973 -5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.929 6.922 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.159 8.115 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.298 6.854 -7.529 1.00 0.00 H new ATOM 366 N ILE A 24 5.125 3.824 -5.878 1.00 0.00 N ATOM 367 CA ILE A 24 5.073 2.773 -4.831 1.00 0.00 C ATOM 368 C ILE A 24 6.236 2.963 -3.861 1.00 0.00 C ATOM 369 O ILE A 24 6.157 2.579 -2.713 1.00 0.00 O ATOM 370 CB ILE A 24 5.132 1.402 -5.483 1.00 0.00 C ATOM 371 CG1 ILE A 24 3.974 1.287 -6.449 1.00 0.00 C ATOM 372 CG2 ILE A 24 4.976 0.318 -4.435 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.650 1.387 -5.676 1.00 0.00 C ATOM 0 H ILE A 24 5.123 3.487 -6.841 1.00 0.00 H new ATOM 0 HA ILE A 24 4.139 2.851 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 24 6.089 1.285 -5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.031 2.077 -7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.025 0.338 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.020 -0.660 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.780 0.400 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.016 0.433 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.815 1.304 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.594 0.581 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.600 2.347 -5.162 1.00 0.00 H new ATOM 385 N LYS A 25 7.301 3.593 -4.287 1.00 0.00 N ATOM 386 CA LYS A 25 8.417 3.839 -3.342 1.00 0.00 C ATOM 387 C LYS A 25 7.878 4.753 -2.243 1.00 0.00 C ATOM 388 O LYS A 25 8.178 4.581 -1.082 1.00 0.00 O ATOM 389 CB LYS A 25 9.589 4.510 -4.052 1.00 0.00 C ATOM 390 CG LYS A 25 9.147 5.849 -4.647 1.00 0.00 C ATOM 391 CD LYS A 25 10.319 6.490 -5.392 1.00 0.00 C ATOM 392 CE LYS A 25 10.350 7.991 -5.097 1.00 0.00 C ATOM 393 NZ LYS A 25 11.760 8.473 -5.117 1.00 0.00 N ATOM 0 H LYS A 25 7.440 3.941 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 25 8.781 2.898 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.408 4.668 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.967 3.860 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.309 5.697 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.799 6.513 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.257 6.028 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.219 6.321 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.760 8.530 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.900 8.191 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.781 9.493 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.310 7.967 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.174 8.296 -6.054 1.00 0.00 H new ATOM 407 N ASP A 26 7.041 5.698 -2.601 1.00 0.00 N ATOM 408 CA ASP A 26 6.437 6.574 -1.564 1.00 0.00 C ATOM 409 C ASP A 26 5.604 5.672 -0.683 1.00 0.00 C ATOM 410 O ASP A 26 5.610 5.778 0.528 1.00 0.00 O ATOM 411 CB ASP A 26 5.532 7.631 -2.193 1.00 0.00 C ATOM 412 CG ASP A 26 6.340 8.538 -3.124 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.550 8.409 -3.144 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.729 9.354 -3.794 1.00 0.00 O ATOM 0 H ASP A 26 6.756 5.895 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 26 7.216 7.096 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.730 7.147 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.061 8.228 -1.412 1.00 0.00 H new ATOM 419 N VAL A 27 4.914 4.748 -1.289 1.00 0.00 N ATOM 420 CA VAL A 27 4.112 3.787 -0.479 1.00 0.00 C ATOM 421 C VAL A 27 5.049 3.094 0.510 1.00 0.00 C ATOM 422 O VAL A 27 4.752 2.966 1.684 1.00 0.00 O ATOM 423 CB VAL A 27 3.474 2.741 -1.382 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.560 1.854 -0.542 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.667 3.449 -2.465 1.00 0.00 C ATOM 0 H VAL A 27 4.869 4.616 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 27 3.323 4.322 0.049 1.00 0.00 H new ATOM 0 HB VAL A 27 4.241 2.124 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.098 1.101 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.145 1.362 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.784 2.465 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.205 2.708 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.891 4.058 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.327 4.088 -3.051 1.00 0.00 H new ATOM 435 N MET A 28 6.202 2.674 0.049 1.00 0.00 N ATOM 436 CA MET A 28 7.173 2.023 0.967 1.00 0.00 C ATOM 437 C MET A 28 7.808 3.103 1.845 1.00 0.00 C ATOM 438 O MET A 28 8.457 2.822 2.831 1.00 0.00 O ATOM 439 CB MET A 28 8.257 1.317 0.150 1.00 0.00 C ATOM 440 CG MET A 28 7.605 0.326 -0.817 1.00 0.00 C ATOM 441 SD MET A 28 7.827 -1.358 -0.196 1.00 0.00 S ATOM 442 CE MET A 28 9.370 -1.718 -1.070 1.00 0.00 C ATOM 0 H MET A 28 6.507 2.756 -0.921 1.00 0.00 H new ATOM 0 HA MET A 28 6.666 1.287 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.844 2.049 -0.404 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.945 0.794 0.814 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.543 0.549 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.050 0.421 -1.807 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.698 -2.729 -0.828 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.207 -1.637 -2.145 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.136 -1.005 -0.764 1.00 0.00 H new ATOM 452 N ARG A 29 7.619 4.347 1.491 1.00 0.00 N ATOM 453 CA ARG A 29 8.196 5.454 2.299 1.00 0.00 C ATOM 454 C ARG A 29 7.351 5.640 3.561 1.00 0.00 C ATOM 455 O ARG A 29 7.872 5.849 4.638 1.00 0.00 O ATOM 456 CB ARG A 29 8.185 6.747 1.479 1.00 0.00 C ATOM 457 CG ARG A 29 8.947 7.841 2.227 1.00 0.00 C ATOM 458 CD ARG A 29 8.304 9.196 1.930 1.00 0.00 C ATOM 459 NE ARG A 29 9.183 10.287 2.439 1.00 0.00 N ATOM 460 CZ ARG A 29 8.703 11.488 2.599 1.00 0.00 C ATOM 461 NH1 ARG A 29 8.967 12.418 1.722 1.00 0.00 N ATOM 462 NH2 ARG A 29 7.959 11.761 3.636 1.00 0.00 N ATOM 0 H ARG A 29 7.087 4.642 0.672 1.00 0.00 H new ATOM 0 HA ARG A 29 9.223 5.214 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.642 6.574 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.158 7.065 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.930 7.644 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.993 7.847 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.150 9.310 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.323 9.256 2.401 1.00 0.00 H new ATOM 0 HE ARG A 29 10.159 10.094 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.549 12.205 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.591 13.358 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.753 11.034 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.583 12.701 3.761 1.00 0.00 H new ATOM 476 N TRP A 30 6.050 5.552 3.446 1.00 0.00 N ATOM 477 CA TRP A 30 5.197 5.715 4.660 1.00 0.00 C ATOM 478 C TRP A 30 5.118 4.380 5.396 1.00 0.00 C ATOM 479 O TRP A 30 5.198 4.323 6.606 1.00 0.00 O ATOM 480 CB TRP A 30 3.789 6.161 4.266 1.00 0.00 C ATOM 481 CG TRP A 30 3.875 7.316 3.327 1.00 0.00 C ATOM 482 CD1 TRP A 30 4.360 8.540 3.633 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.473 7.370 1.933 1.00 0.00 C ATOM 484 NE1 TRP A 30 4.282 9.344 2.508 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.740 8.665 1.434 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.908 6.426 1.064 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.455 9.012 0.114 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.622 6.766 -0.263 1.00 0.00 C ATOM 489 CH2 TRP A 30 2.894 8.058 -0.739 1.00 0.00 C ATOM 0 H TRP A 30 5.548 5.377 2.576 1.00 0.00 H new ATOM 0 HA TRP A 30 5.637 6.474 5.306 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.253 5.336 3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.224 6.443 5.154 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.745 8.841 4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.587 10.317 2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.692 5.430 1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.666 10.008 -0.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.190 6.030 -0.925 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.670 8.315 -1.764 1.00 0.00 H new ATOM 500 N ASN A 31 4.969 3.300 4.675 1.00 0.00 N ATOM 501 CA ASN A 31 4.893 1.975 5.346 1.00 0.00 C ATOM 502 C ASN A 31 6.286 1.359 5.410 1.00 0.00 C ATOM 503 O ASN A 31 7.032 1.385 4.454 1.00 0.00 O ATOM 504 CB ASN A 31 3.969 1.046 4.564 1.00 0.00 C ATOM 505 CG ASN A 31 2.600 1.708 4.392 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.726 1.546 5.220 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.375 2.453 3.345 1.00 0.00 N ATOM 0 H ASN A 31 4.897 3.280 3.658 1.00 0.00 H new ATOM 0 HA ASN A 31 4.500 2.108 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.401 0.823 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.862 0.097 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.466 2.899 3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.108 2.590 2.649 1.00 0.00 H new ATOM 514 N SER A 32 6.638 0.796 6.527 1.00 0.00 N ATOM 515 CA SER A 32 7.983 0.170 6.652 1.00 0.00 C ATOM 516 C SER A 32 7.897 -1.266 6.162 1.00 0.00 C ATOM 517 O SER A 32 8.213 -1.574 5.030 1.00 0.00 O ATOM 518 CB SER A 32 8.432 0.200 8.113 1.00 0.00 C ATOM 519 OG SER A 32 7.321 -0.078 8.955 1.00 0.00 O ATOM 0 H SER A 32 6.054 0.741 7.361 1.00 0.00 H new ATOM 0 HA SER A 32 8.709 0.720 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.220 -0.535 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.851 1.176 8.356 1.00 0.00 H new ATOM 0 HG SER A 32 7.608 -0.061 9.892 1.00 0.00 H new ATOM 525 N ASP A 33 7.447 -2.143 7.000 1.00 0.00 N ATOM 526 CA ASP A 33 7.309 -3.563 6.587 1.00 0.00 C ATOM 527 C ASP A 33 5.988 -3.712 5.834 1.00 0.00 C ATOM 528 O ASP A 33 4.921 -3.591 6.399 1.00 0.00 O ATOM 529 CB ASP A 33 7.325 -4.480 7.820 1.00 0.00 C ATOM 530 CG ASP A 33 6.268 -4.030 8.835 1.00 0.00 C ATOM 531 OD1 ASP A 33 6.488 -3.023 9.487 1.00 0.00 O ATOM 532 OD2 ASP A 33 5.257 -4.707 8.947 1.00 0.00 O ATOM 0 H ASP A 33 7.166 -1.941 7.959 1.00 0.00 H new ATOM 0 HA ASP A 33 8.142 -3.849 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.133 -5.510 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.312 -4.462 8.282 1.00 0.00 H new ATOM 537 N THR A 34 6.047 -3.955 4.557 1.00 0.00 N ATOM 538 CA THR A 34 4.788 -4.093 3.776 1.00 0.00 C ATOM 539 C THR A 34 4.336 -5.556 3.777 1.00 0.00 C ATOM 540 O THR A 34 3.915 -6.092 2.768 1.00 0.00 O ATOM 541 CB THR A 34 5.024 -3.617 2.344 1.00 0.00 C ATOM 542 OG1 THR A 34 6.262 -4.129 1.873 1.00 0.00 O ATOM 543 CG2 THR A 34 5.055 -2.087 2.317 1.00 0.00 C ATOM 0 H THR A 34 6.908 -4.064 4.021 1.00 0.00 H new ATOM 0 HA THR A 34 4.008 -3.483 4.232 1.00 0.00 H new ATOM 0 HB THR A 34 4.219 -3.974 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.413 -3.825 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.223 -1.744 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.103 -1.697 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.861 -1.728 2.958 1.00 0.00 H new ATOM 551 N ALA A 35 4.396 -6.202 4.914 1.00 0.00 N ATOM 552 CA ALA A 35 3.951 -7.618 4.990 1.00 0.00 C ATOM 553 C ALA A 35 2.437 -7.690 4.775 1.00 0.00 C ATOM 554 O ALA A 35 1.874 -8.756 4.625 1.00 0.00 O ATOM 555 CB ALA A 35 4.300 -8.191 6.364 1.00 0.00 C ATOM 0 H ALA A 35 4.735 -5.806 5.791 1.00 0.00 H new ATOM 0 HA ALA A 35 4.455 -8.198 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.973 -9.229 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.378 -8.141 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.798 -7.611 7.138 1.00 0.00 H new ATOM 561 N ASN A 36 1.773 -6.563 4.743 1.00 0.00 N ATOM 562 CA ASN A 36 0.308 -6.577 4.518 1.00 0.00 C ATOM 563 C ASN A 36 0.022 -6.725 3.023 1.00 0.00 C ATOM 564 O ASN A 36 -1.115 -6.755 2.612 1.00 0.00 O ATOM 565 CB ASN A 36 -0.298 -5.267 5.025 1.00 0.00 C ATOM 566 CG ASN A 36 -1.145 -5.546 6.266 1.00 0.00 C ATOM 567 OD1 ASN A 36 -2.323 -5.253 6.292 1.00 0.00 O ATOM 568 ND2 ASN A 36 -0.590 -6.105 7.307 1.00 0.00 N ATOM 0 H ASN A 36 2.187 -5.638 4.863 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.134 -7.415 5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.493 -4.556 5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.912 -4.812 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.146 -6.295 8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.400 -6.352 7.287 1.00 0.00 H new ATOM 575 N LEU A 37 1.036 -6.824 2.197 1.00 0.00 N ATOM 576 CA LEU A 37 0.772 -6.979 0.739 1.00 0.00 C ATOM 577 C LEU A 37 0.461 -8.448 0.464 1.00 0.00 C ATOM 578 O LEU A 37 1.259 -9.176 -0.090 1.00 0.00 O ATOM 579 CB LEU A 37 1.995 -6.554 -0.076 1.00 0.00 C ATOM 580 CG LEU A 37 2.104 -5.025 -0.121 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.696 -4.415 1.221 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.548 -4.630 -0.426 1.00 0.00 C ATOM 0 H LEU A 37 2.019 -6.804 2.467 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.068 -6.348 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.898 -6.976 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.920 -6.949 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 37 1.437 -4.652 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.780 -3.330 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.665 -4.688 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.351 -4.792 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.629 -3.543 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.204 -5.019 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.843 -5.045 -1.390 1.00 0.00 H new ATOM 594 N GLN A 38 -0.702 -8.883 0.854 1.00 0.00 N ATOM 595 CA GLN A 38 -1.103 -10.290 0.638 1.00 0.00 C ATOM 596 C GLN A 38 -2.168 -10.295 -0.441 1.00 0.00 C ATOM 597 O GLN A 38 -2.732 -9.260 -0.745 1.00 0.00 O ATOM 598 CB GLN A 38 -1.673 -10.867 1.936 1.00 0.00 C ATOM 599 CG GLN A 38 -1.036 -10.159 3.134 1.00 0.00 C ATOM 600 CD GLN A 38 -1.110 -11.067 4.363 1.00 0.00 C ATOM 601 OE1 GLN A 38 -0.100 -11.386 4.958 1.00 0.00 O ATOM 602 NE2 GLN A 38 -2.272 -11.499 4.770 1.00 0.00 N ATOM 0 H GLN A 38 -1.402 -8.308 1.322 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.249 -10.897 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.755 -10.740 1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.477 -11.938 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.002 -9.912 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.552 -9.220 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.120 -11.231 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.333 -12.105 5.588 1.00 0.00 H new ATOM 611 N PRO A 39 -2.419 -11.444 -0.994 1.00 0.00 N ATOM 612 CA PRO A 39 -3.417 -11.578 -2.051 1.00 0.00 C ATOM 613 C PRO A 39 -4.812 -11.369 -1.471 1.00 0.00 C ATOM 614 O PRO A 39 -5.493 -12.298 -1.083 1.00 0.00 O ATOM 615 CB PRO A 39 -3.201 -12.995 -2.586 1.00 0.00 C ATOM 616 CG PRO A 39 -2.471 -13.770 -1.465 1.00 0.00 C ATOM 617 CD PRO A 39 -1.763 -12.708 -0.601 1.00 0.00 C ATOM 0 HA PRO A 39 -3.322 -10.841 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.152 -13.468 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.607 -12.980 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.176 -14.350 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.752 -14.475 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.887 -12.910 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.691 -12.681 -0.798 1.00 0.00 H new ATOM 625 N GLY A 40 -5.223 -10.136 -1.404 1.00 0.00 N ATOM 626 CA GLY A 40 -6.555 -9.801 -0.843 1.00 0.00 C ATOM 627 C GLY A 40 -6.391 -8.807 0.313 1.00 0.00 C ATOM 628 O GLY A 40 -7.289 -8.634 1.113 1.00 0.00 O ATOM 0 H GLY A 40 -4.680 -9.333 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.190 -9.371 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.050 -10.706 -0.491 1.00 0.00 H new ATOM 632 N ASP A 41 -5.258 -8.145 0.421 1.00 0.00 N ATOM 633 CA ASP A 41 -5.085 -7.176 1.543 1.00 0.00 C ATOM 634 C ASP A 41 -5.083 -5.751 0.990 1.00 0.00 C ATOM 635 O ASP A 41 -4.734 -5.524 -0.147 1.00 0.00 O ATOM 636 CB ASP A 41 -3.761 -7.447 2.249 1.00 0.00 C ATOM 637 CG ASP A 41 -4.027 -7.998 3.651 1.00 0.00 C ATOM 638 OD1 ASP A 41 -4.949 -8.782 3.795 1.00 0.00 O ATOM 639 OD2 ASP A 41 -3.299 -7.626 4.558 1.00 0.00 O ATOM 0 H ASP A 41 -4.462 -8.235 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.906 -7.291 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.170 -8.160 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.178 -6.529 2.313 1.00 0.00 H new ATOM 644 N LYS A 42 -5.470 -4.788 1.787 1.00 0.00 N ATOM 645 CA LYS A 42 -5.499 -3.381 1.303 1.00 0.00 C ATOM 646 C LYS A 42 -4.103 -2.767 1.409 1.00 0.00 C ATOM 647 O LYS A 42 -3.292 -3.176 2.217 1.00 0.00 O ATOM 648 CB LYS A 42 -6.473 -2.574 2.162 1.00 0.00 C ATOM 649 CG LYS A 42 -7.906 -2.847 1.702 1.00 0.00 C ATOM 650 CD LYS A 42 -8.783 -3.153 2.918 1.00 0.00 C ATOM 651 CE LYS A 42 -8.755 -1.964 3.880 1.00 0.00 C ATOM 652 NZ LYS A 42 -9.575 -2.280 5.084 1.00 0.00 N ATOM 0 H LYS A 42 -5.767 -4.919 2.754 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.821 -3.364 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.359 -2.845 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.250 -1.510 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.298 -1.983 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.923 -3.687 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.806 -3.353 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.424 -4.050 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.729 -1.744 4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.143 -1.073 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.556 -1.472 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.556 -2.470 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.185 -3.119 5.559 1.00 0.00 H new ATOM 666 N LEU A 43 -3.815 -1.799 0.583 1.00 0.00 N ATOM 667 CA LEU A 43 -2.472 -1.165 0.609 1.00 0.00 C ATOM 668 C LEU A 43 -2.608 0.354 0.512 1.00 0.00 C ATOM 669 O LEU A 43 -3.371 0.869 -0.280 1.00 0.00 O ATOM 670 CB LEU A 43 -1.667 -1.667 -0.581 1.00 0.00 C ATOM 671 CG LEU A 43 -0.437 -2.432 -0.091 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.559 -2.535 -1.232 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.222 -1.698 1.079 1.00 0.00 C ATOM 0 H LEU A 43 -4.458 -1.420 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.970 -1.422 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.285 -2.315 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.359 -0.827 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.744 -3.423 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.442 -3.079 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.102 -3.066 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.849 -1.535 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.095 -2.258 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.530 -0.703 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.489 -1.610 1.900 1.00 0.00 H new ATOM 685 N THR A 44 -1.872 1.068 1.314 1.00 0.00 N ATOM 686 CA THR A 44 -1.949 2.547 1.283 1.00 0.00 C ATOM 687 C THR A 44 -1.282 3.091 0.019 1.00 0.00 C ATOM 688 O THR A 44 -0.145 2.790 -0.274 1.00 0.00 O ATOM 689 CB THR A 44 -1.219 3.119 2.503 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.165 3.410 3.522 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.473 4.403 2.113 1.00 0.00 C ATOM 0 H THR A 44 -1.216 0.684 1.994 1.00 0.00 H new ATOM 0 HA THR A 44 -2.999 2.840 1.293 1.00 0.00 H new ATOM 0 HB THR A 44 -0.499 2.386 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.110 4.360 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.043 4.803 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.254 4.179 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.186 5.140 1.744 1.00 0.00 H new ATOM 699 N LEU A 45 -1.971 3.925 -0.704 1.00 0.00 N ATOM 700 CA LEU A 45 -1.365 4.533 -1.916 1.00 0.00 C ATOM 701 C LEU A 45 -1.409 6.047 -1.736 1.00 0.00 C ATOM 702 O LEU A 45 -1.913 6.762 -2.580 1.00 0.00 O ATOM 703 CB LEU A 45 -2.147 4.161 -3.184 1.00 0.00 C ATOM 704 CG LEU A 45 -1.625 2.857 -3.778 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.696 2.297 -4.707 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.357 3.123 -4.593 1.00 0.00 C ATOM 0 H LEU A 45 -2.930 4.212 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.345 4.166 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.206 4.060 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.060 4.961 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.395 2.154 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.345 1.362 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.609 2.112 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.901 3.015 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.009 2.186 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.583 3.819 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.408 3.553 -3.946 1.00 0.00 H new ATOM 718 N PHE A 46 -0.869 6.547 -0.646 1.00 0.00 N ATOM 719 CA PHE A 46 -0.863 8.025 -0.436 1.00 0.00 C ATOM 720 C PHE A 46 -0.201 8.662 -1.653 1.00 0.00 C ATOM 721 O PHE A 46 -0.403 9.820 -1.957 1.00 0.00 O ATOM 722 CB PHE A 46 -0.066 8.386 0.823 1.00 0.00 C ATOM 723 CG PHE A 46 -0.714 7.787 2.050 1.00 0.00 C ATOM 724 CD1 PHE A 46 -2.094 7.551 2.076 1.00 0.00 C ATOM 725 CD2 PHE A 46 0.070 7.470 3.166 1.00 0.00 C ATOM 726 CE1 PHE A 46 -2.688 6.998 3.219 1.00 0.00 C ATOM 727 CE2 PHE A 46 -0.523 6.919 4.307 1.00 0.00 C ATOM 728 CZ PHE A 46 -1.902 6.682 4.334 1.00 0.00 C ATOM 0 H PHE A 46 -0.437 5.998 0.098 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.883 8.387 -0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.957 8.021 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.010 9.470 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.700 7.795 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.135 7.651 3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.752 6.816 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.083 6.677 5.167 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.360 6.256 5.214 1.00 0.00 H new ATOM 738 N VAL A 47 0.583 7.876 -2.349 1.00 0.00 N ATOM 739 CA VAL A 47 1.283 8.332 -3.569 1.00 0.00 C ATOM 740 C VAL A 47 0.367 9.240 -4.394 1.00 0.00 C ATOM 741 O VAL A 47 -0.818 8.994 -4.522 1.00 0.00 O ATOM 742 CB VAL A 47 1.653 7.086 -4.384 1.00 0.00 C ATOM 743 CG1 VAL A 47 2.913 6.444 -3.822 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.532 6.045 -4.310 1.00 0.00 C ATOM 0 H VAL A 47 0.767 6.903 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 47 2.176 8.899 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 47 1.811 7.401 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.164 5.561 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.736 7.157 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.742 6.154 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.811 5.168 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.373 5.754 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.387 6.471 -4.712 1.00 0.00 H new ATOM 754 N LYS A 48 0.903 10.288 -4.955 1.00 0.00 N ATOM 755 CA LYS A 48 0.061 11.208 -5.771 1.00 0.00 C ATOM 756 C LYS A 48 -0.192 10.584 -7.145 1.00 0.00 C ATOM 757 O LYS A 48 0.775 10.318 -7.840 1.00 0.00 O ATOM 758 CB LYS A 48 0.787 12.544 -5.944 1.00 0.00 C ATOM 759 CG LYS A 48 -0.088 13.674 -5.397 1.00 0.00 C ATOM 760 CD LYS A 48 0.564 14.265 -4.147 1.00 0.00 C ATOM 761 CE LYS A 48 -0.470 15.075 -3.364 1.00 0.00 C ATOM 762 NZ LYS A 48 -0.553 14.558 -1.969 1.00 0.00 N ATOM 763 OXT LYS A 48 -1.347 10.380 -7.476 1.00 0.00 O ATOM 0 H LYS A 48 1.887 10.547 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.891 11.374 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.742 12.522 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.007 12.717 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.216 14.448 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.082 13.295 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.965 13.467 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.403 14.902 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.192 16.129 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.444 15.005 -3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.256 15.109 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.837 13.558 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.376 14.646 -1.510 1.00 0.00 H new TER 777 LYS A 48