USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 87:sc= 0.801 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 30:sc= 0.859 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0446) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.34! (180deg=-3.9!) USER MOD Single : A 35 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= -0.301 (180deg=-2.49!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 48 ASN : amide:sc= -4.56! C(o=-4.6!,f=-2.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 61 SER OG : rot 17:sc= 0.91 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 2.24 (180deg=1.65) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -7.664 -5.691 9.395 1.00 0.00 N ATOM 2 CA LYS A 3 -7.572 -6.940 8.629 1.00 0.00 C ATOM 3 C LYS A 3 -7.725 -6.681 7.127 1.00 0.00 C ATOM 4 O LYS A 3 -6.813 -6.947 6.346 1.00 0.00 O ATOM 5 CB LYS A 3 -8.612 -7.961 9.110 1.00 0.00 C ATOM 6 CG LYS A 3 -8.559 -9.291 8.372 1.00 0.00 C ATOM 7 CD LYS A 3 -7.235 -10.009 8.591 1.00 0.00 C ATOM 8 CE LYS A 3 -7.202 -11.338 7.853 1.00 0.00 C ATOM 9 NZ LYS A 3 -5.928 -12.076 8.071 1.00 0.00 N ATOM 0 HA LYS A 3 -6.580 -7.359 8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.464 -8.142 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.608 -7.532 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.377 -9.927 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.708 -9.121 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.415 -9.379 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.082 -10.178 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.037 -11.955 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.339 -11.162 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.954 -12.975 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.131 -11.500 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.808 -12.269 9.086 1.00 0.00 H new ATOM 23 N LYS A 4 -8.872 -6.139 6.746 1.00 0.00 N ATOM 24 CA LYS A 4 -9.184 -5.843 5.358 1.00 0.00 C ATOM 25 C LYS A 4 -8.728 -4.437 4.993 1.00 0.00 C ATOM 26 O LYS A 4 -7.677 -3.973 5.445 1.00 0.00 O ATOM 27 CB LYS A 4 -10.692 -5.969 5.148 1.00 0.00 C ATOM 28 CG LYS A 4 -11.248 -7.329 5.532 1.00 0.00 C ATOM 29 CD LYS A 4 -12.761 -7.344 5.440 1.00 0.00 C ATOM 30 CE LYS A 4 -13.338 -8.683 5.860 1.00 0.00 C ATOM 31 NZ LYS A 4 -14.823 -8.658 5.854 1.00 0.00 N ATOM 0 H LYS A 4 -9.617 -5.891 7.397 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.659 -6.551 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.197 -5.201 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.922 -5.774 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.833 -8.094 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.940 -7.578 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.171 -6.557 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.065 -7.122 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.983 -9.462 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.981 -8.938 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.187 -9.588 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.161 -7.931 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.163 -8.438 4.896 1.00 0.00 H new ATOM 45 N SER A 5 -9.519 -3.784 4.158 1.00 0.00 N ATOM 46 CA SER A 5 -9.250 -2.431 3.721 1.00 0.00 C ATOM 47 C SER A 5 -9.035 -1.492 4.906 1.00 0.00 C ATOM 48 O SER A 5 -9.791 -1.512 5.882 1.00 0.00 O ATOM 49 CB SER A 5 -10.407 -1.965 2.847 1.00 0.00 C ATOM 50 OG SER A 5 -11.657 -2.196 3.480 1.00 0.00 O ATOM 0 H SER A 5 -10.371 -4.184 3.764 1.00 0.00 H new ATOM 0 HA SER A 5 -8.326 -2.415 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.297 -0.902 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.378 -2.489 1.892 1.00 0.00 H new ATOM 0 HG SER A 5 -12.381 -1.886 2.897 1.00 0.00 H new ATOM 56 N ARG A 6 -7.995 -0.676 4.815 1.00 0.00 N ATOM 57 CA ARG A 6 -7.587 0.164 5.926 1.00 0.00 C ATOM 58 C ARG A 6 -6.973 1.465 5.442 1.00 0.00 C ATOM 59 O ARG A 6 -6.890 1.721 4.248 1.00 0.00 O ATOM 60 CB ARG A 6 -6.572 -0.560 6.795 1.00 0.00 C ATOM 61 CG ARG A 6 -5.243 -0.809 6.107 1.00 0.00 C ATOM 62 CD ARG A 6 -4.306 -1.619 6.985 1.00 0.00 C ATOM 63 NE ARG A 6 -4.758 -3.000 7.156 1.00 0.00 N ATOM 64 CZ ARG A 6 -4.538 -3.724 8.250 1.00 0.00 C ATOM 65 NH1 ARG A 6 -3.984 -3.163 9.319 1.00 0.00 N ATOM 66 NH2 ARG A 6 -4.890 -5.002 8.279 1.00 0.00 N ATOM 0 H ARG A 6 -7.418 -0.579 3.979 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.482 0.388 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.399 0.025 7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.992 -1.515 7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.411 -1.337 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.777 0.144 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.308 -1.618 6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.225 -1.142 7.962 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.273 -3.434 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.727 -2.176 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.816 -3.719 10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.329 -5.429 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.722 -5.558 9.117 1.00 0.00 H new ATOM 80 N LEU A 7 -6.544 2.267 6.397 1.00 0.00 N ATOM 81 CA LEU A 7 -5.950 3.565 6.126 1.00 0.00 C ATOM 82 C LEU A 7 -4.474 3.416 5.745 1.00 0.00 C ATOM 83 O LEU A 7 -3.628 3.121 6.592 1.00 0.00 O ATOM 84 CB LEU A 7 -6.110 4.451 7.375 1.00 0.00 C ATOM 85 CG LEU A 7 -5.891 5.960 7.191 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.416 6.294 7.033 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.688 6.470 6.001 1.00 0.00 C ATOM 0 H LEU A 7 -6.597 2.037 7.389 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.458 4.033 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.114 4.300 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.412 4.097 8.133 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.247 6.462 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.298 7.370 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.873 5.973 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.018 5.779 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.522 7.541 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.365 5.952 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.749 6.283 6.167 1.00 0.00 H new ATOM 99 N TRP A 8 -4.190 3.604 4.462 1.00 0.00 N ATOM 100 CA TRP A 8 -2.824 3.624 3.945 1.00 0.00 C ATOM 101 C TRP A 8 -2.317 5.063 3.925 1.00 0.00 C ATOM 102 O TRP A 8 -3.109 5.998 3.791 1.00 0.00 O ATOM 103 CB TRP A 8 -2.775 3.059 2.515 1.00 0.00 C ATOM 104 CG TRP A 8 -3.224 1.631 2.383 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.477 1.138 2.601 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.423 0.520 1.973 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.503 -0.213 2.363 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.255 -0.617 1.974 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.084 0.374 1.605 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.787 -1.879 1.623 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.621 -0.879 1.256 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.473 -1.991 1.265 1.00 0.00 C ATOM 0 H TRP A 8 -4.903 3.748 3.747 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.198 3.008 4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.398 3.681 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.754 3.139 2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.326 1.726 2.916 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.319 -0.817 2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.422 1.227 1.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.439 -2.740 1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.413 -1.004 0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.083 -2.958 0.983 1.00 0.00 H new ATOM 123 N VAL A 9 -1.013 5.252 4.060 1.00 0.00 N ATOM 124 CA VAL A 9 -0.433 6.593 4.023 1.00 0.00 C ATOM 125 C VAL A 9 0.627 6.693 2.929 1.00 0.00 C ATOM 126 O VAL A 9 1.331 5.726 2.649 1.00 0.00 O ATOM 127 CB VAL A 9 0.204 6.972 5.380 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.680 8.418 5.369 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.775 6.740 6.522 1.00 0.00 C ATOM 0 H VAL A 9 -0.337 4.501 4.196 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.245 7.288 3.810 1.00 0.00 H new ATOM 0 HB VAL A 9 1.070 6.328 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.124 8.662 6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.424 8.550 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.167 9.078 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.304 7.014 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.664 7.352 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.059 5.688 6.550 1.00 0.00 H new ATOM 139 N ASP A 10 0.724 7.860 2.299 1.00 0.00 N ATOM 140 CA ASP A 10 1.758 8.108 1.296 1.00 0.00 C ATOM 141 C ASP A 10 3.072 8.517 1.943 1.00 0.00 C ATOM 142 O ASP A 10 3.090 8.952 3.095 1.00 0.00 O ATOM 143 CB ASP A 10 1.293 9.164 0.277 1.00 0.00 C ATOM 144 CG ASP A 10 2.365 10.164 -0.142 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.091 9.896 -1.120 1.00 0.00 O ATOM 146 OD2 ASP A 10 2.475 11.229 0.497 1.00 0.00 O ATOM 0 H ASP A 10 0.100 8.650 2.464 1.00 0.00 H new ATOM 0 HA ASP A 10 1.931 7.174 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.925 8.653 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.451 9.711 0.701 1.00 0.00 H new ATOM 151 N ARG A 11 4.154 8.375 1.200 1.00 0.00 N ATOM 152 CA ARG A 11 5.501 8.630 1.712 1.00 0.00 C ATOM 153 C ARG A 11 5.608 10.002 2.379 1.00 0.00 C ATOM 154 O ARG A 11 6.141 10.129 3.484 1.00 0.00 O ATOM 155 CB ARG A 11 6.512 8.522 0.577 1.00 0.00 C ATOM 156 CG ARG A 11 7.942 8.795 1.004 1.00 0.00 C ATOM 157 CD ARG A 11 8.918 8.375 -0.074 1.00 0.00 C ATOM 158 NE ARG A 11 8.650 9.045 -1.346 1.00 0.00 N ATOM 159 CZ ARG A 11 8.819 8.471 -2.539 1.00 0.00 C ATOM 160 NH1 ARG A 11 9.256 7.223 -2.620 1.00 0.00 N ATOM 161 NH2 ARG A 11 8.532 9.141 -3.647 1.00 0.00 N ATOM 0 H ARG A 11 4.131 8.080 0.224 1.00 0.00 H new ATOM 0 HA ARG A 11 5.717 7.878 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.456 7.522 0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.237 9.224 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.065 9.857 1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.159 8.257 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.934 8.602 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.862 7.295 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 11 8.314 10.008 -1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.464 6.699 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.385 6.786 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.181 10.097 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.662 8.700 -4.558 1.00 0.00 H new ATOM 175 N SER A 12 5.075 11.015 1.718 1.00 0.00 N ATOM 176 CA SER A 12 5.195 12.384 2.194 1.00 0.00 C ATOM 177 C SER A 12 3.972 12.782 3.014 1.00 0.00 C ATOM 178 O SER A 12 3.794 13.954 3.356 1.00 0.00 O ATOM 179 CB SER A 12 5.365 13.324 1.001 1.00 0.00 C ATOM 180 OG SER A 12 6.377 12.850 0.124 1.00 0.00 O ATOM 0 H SER A 12 4.553 10.916 0.847 1.00 0.00 H new ATOM 0 HA SER A 12 6.070 12.458 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.421 13.409 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.622 14.323 1.353 1.00 0.00 H new ATOM 0 HG SER A 12 6.468 13.465 -0.633 1.00 0.00 H new ATOM 186 N GLY A 13 3.132 11.800 3.326 1.00 0.00 N ATOM 187 CA GLY A 13 1.927 12.055 4.088 1.00 0.00 C ATOM 188 C GLY A 13 0.955 12.941 3.338 1.00 0.00 C ATOM 189 O GLY A 13 0.117 13.605 3.947 1.00 0.00 O ATOM 0 H GLY A 13 3.268 10.824 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.443 11.108 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.190 12.527 5.035 1.00 0.00 H new ATOM 193 N THR A 14 1.066 12.944 2.015 1.00 0.00 N ATOM 194 CA THR A 14 0.242 13.802 1.178 1.00 0.00 C ATOM 195 C THR A 14 -1.194 13.303 1.161 1.00 0.00 C ATOM 196 O THR A 14 -2.142 14.089 1.112 1.00 0.00 O ATOM 197 CB THR A 14 0.776 13.849 -0.266 1.00 0.00 C ATOM 198 OG1 THR A 14 2.207 13.764 -0.258 1.00 0.00 O ATOM 199 CG2 THR A 14 0.345 15.134 -0.957 1.00 0.00 C ATOM 0 H THR A 14 1.722 12.358 1.499 1.00 0.00 H new ATOM 0 HA THR A 14 0.277 14.806 1.600 1.00 0.00 H new ATOM 0 HB THR A 14 0.363 13.002 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.479 12.822 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.733 15.147 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.743 15.186 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.737 15.991 -0.409 1.00 0.00 H new ATOM 207 N PHE A 15 -1.351 11.991 1.221 1.00 0.00 N ATOM 208 CA PHE A 15 -2.671 11.399 1.244 1.00 0.00 C ATOM 209 C PHE A 15 -2.710 10.184 2.146 1.00 0.00 C ATOM 210 O PHE A 15 -1.815 9.337 2.121 1.00 0.00 O ATOM 211 CB PHE A 15 -3.170 11.039 -0.169 1.00 0.00 C ATOM 212 CG PHE A 15 -2.224 10.222 -1.014 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.212 8.831 -0.953 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.363 10.852 -1.897 1.00 0.00 C ATOM 215 CE1 PHE A 15 -1.360 8.097 -1.754 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.507 10.121 -2.697 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.505 8.741 -2.625 1.00 0.00 C ATOM 0 H PHE A 15 -0.582 11.321 1.254 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.347 12.152 1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.107 10.490 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.395 11.964 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.876 8.321 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.361 11.930 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.363 7.018 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.160 10.628 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.164 8.168 -3.249 1.00 0.00 H new ATOM 227 N LYS A 16 -3.724 10.145 2.985 1.00 0.00 N ATOM 228 CA LYS A 16 -4.055 8.949 3.719 1.00 0.00 C ATOM 229 C LYS A 16 -5.349 8.412 3.141 1.00 0.00 C ATOM 230 O LYS A 16 -6.319 9.157 2.989 1.00 0.00 O ATOM 231 CB LYS A 16 -4.218 9.245 5.210 1.00 0.00 C ATOM 232 CG LYS A 16 -3.020 9.945 5.829 1.00 0.00 C ATOM 233 CD LYS A 16 -3.163 10.077 7.337 1.00 0.00 C ATOM 234 CE LYS A 16 -2.023 10.877 7.937 1.00 0.00 C ATOM 235 NZ LYS A 16 -2.057 10.860 9.424 1.00 0.00 N ATOM 0 H LYS A 16 -4.337 10.938 3.174 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.254 8.216 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.103 9.864 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.394 8.309 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.113 9.387 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.908 10.935 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.111 10.560 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.190 9.085 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.073 10.471 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.077 11.907 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.262 11.418 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.953 11.271 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.980 9.879 9.762 1.00 0.00 H new ATOM 249 N VAL A 17 -5.376 7.141 2.814 1.00 0.00 N ATOM 250 CA VAL A 17 -6.500 6.585 2.085 1.00 0.00 C ATOM 251 C VAL A 17 -6.907 5.227 2.585 1.00 0.00 C ATOM 252 O VAL A 17 -6.079 4.358 2.828 1.00 0.00 O ATOM 253 CB VAL A 17 -6.222 6.487 0.576 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.650 7.769 -0.098 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.753 6.190 0.301 1.00 0.00 C ATOM 0 H VAL A 17 -4.639 6.473 3.038 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.319 7.283 2.260 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.799 5.658 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.453 7.701 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.716 7.928 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.090 8.605 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.590 6.127 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.137 6.988 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.480 5.242 0.765 1.00 0.00 H new ATOM 265 N ASP A 18 -8.202 5.054 2.718 1.00 0.00 N ATOM 266 CA ASP A 18 -8.759 3.760 3.066 1.00 0.00 C ATOM 267 C ASP A 18 -8.774 2.893 1.836 1.00 0.00 C ATOM 268 O ASP A 18 -9.383 3.236 0.825 1.00 0.00 O ATOM 269 CB ASP A 18 -10.168 3.886 3.651 1.00 0.00 C ATOM 270 CG ASP A 18 -11.070 4.802 2.842 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.587 4.372 1.787 1.00 0.00 O ATOM 272 OD2 ASP A 18 -11.255 5.968 3.253 1.00 0.00 O ATOM 0 H ASP A 18 -8.894 5.793 2.591 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.135 3.306 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.621 2.896 3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.099 4.263 4.671 1.00 0.00 H new ATOM 277 N ALA A 19 -8.083 1.783 1.904 1.00 0.00 N ATOM 278 CA ALA A 19 -7.912 0.960 0.727 1.00 0.00 C ATOM 279 C ALA A 19 -7.592 -0.472 1.083 1.00 0.00 C ATOM 280 O ALA A 19 -7.136 -0.774 2.185 1.00 0.00 O ATOM 281 CB ALA A 19 -6.820 1.536 -0.160 1.00 0.00 C ATOM 0 H ALA A 19 -7.634 1.429 2.749 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.857 0.961 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.700 0.908 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.095 2.545 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.881 1.568 0.393 1.00 0.00 H new ATOM 287 N GLU A 20 -7.856 -1.347 0.142 1.00 0.00 N ATOM 288 CA GLU A 20 -7.536 -2.748 0.282 1.00 0.00 C ATOM 289 C GLU A 20 -6.633 -3.159 -0.863 1.00 0.00 C ATOM 290 O GLU A 20 -6.970 -2.948 -2.028 1.00 0.00 O ATOM 291 CB GLU A 20 -8.818 -3.570 0.260 1.00 0.00 C ATOM 292 CG GLU A 20 -8.655 -4.983 0.779 1.00 0.00 C ATOM 293 CD GLU A 20 -9.979 -5.722 0.833 1.00 0.00 C ATOM 294 OE1 GLU A 20 -10.462 -6.164 -0.228 1.00 0.00 O ATOM 295 OE2 GLU A 20 -10.555 -5.848 1.933 1.00 0.00 O ATOM 0 H GLU A 20 -8.300 -1.107 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.026 -2.922 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.574 -3.060 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.193 -3.611 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.961 -5.527 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.214 -4.955 1.775 1.00 0.00 H new ATOM 302 N PHE A 21 -5.482 -3.714 -0.537 1.00 0.00 N ATOM 303 CA PHE A 21 -4.544 -4.142 -1.557 1.00 0.00 C ATOM 304 C PHE A 21 -5.085 -5.357 -2.296 1.00 0.00 C ATOM 305 O PHE A 21 -5.413 -6.379 -1.689 1.00 0.00 O ATOM 306 CB PHE A 21 -3.162 -4.427 -0.951 1.00 0.00 C ATOM 307 CG PHE A 21 -2.356 -5.419 -1.740 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.631 -5.018 -2.848 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.333 -6.756 -1.379 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.900 -5.929 -3.577 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.602 -7.671 -2.108 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.886 -7.255 -3.208 1.00 0.00 C ATOM 0 H PHE A 21 -5.175 -3.879 0.421 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.424 -3.332 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.605 -3.493 -0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.289 -4.800 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.639 -3.979 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.894 -7.086 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.337 -5.603 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.591 -8.711 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.313 -7.969 -3.781 1.00 0.00 H new ATOM 322 N ILE A 22 -5.195 -5.229 -3.607 1.00 0.00 N ATOM 323 CA ILE A 22 -5.725 -6.298 -4.427 1.00 0.00 C ATOM 324 C ILE A 22 -4.608 -6.982 -5.206 1.00 0.00 C ATOM 325 O ILE A 22 -4.554 -8.208 -5.294 1.00 0.00 O ATOM 326 CB ILE A 22 -6.775 -5.775 -5.432 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.251 -4.369 -5.056 1.00 0.00 C ATOM 328 CG2 ILE A 22 -7.965 -6.716 -5.483 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.115 -3.722 -6.120 1.00 0.00 C ATOM 0 H ILE A 22 -4.923 -4.393 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.200 -7.010 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.303 -5.729 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.813 -4.421 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.383 -3.737 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.698 -6.337 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.633 -7.706 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.419 -6.782 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.417 -2.728 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.549 -3.639 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.001 -4.333 -6.290 1.00 0.00 H new ATOM 341 N GLY A 23 -3.718 -6.183 -5.776 1.00 0.00 N ATOM 342 CA GLY A 23 -2.622 -6.728 -6.552 1.00 0.00 C ATOM 343 C GLY A 23 -1.520 -5.715 -6.770 1.00 0.00 C ATOM 344 O GLY A 23 -1.788 -4.536 -6.998 1.00 0.00 O ATOM 0 H GLY A 23 -3.735 -5.165 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.216 -7.601 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.996 -7.069 -7.517 1.00 0.00 H new ATOM 348 N CYS A 24 -0.283 -6.168 -6.683 1.00 0.00 N ATOM 349 CA CYS A 24 0.866 -5.301 -6.875 1.00 0.00 C ATOM 350 C CYS A 24 1.555 -5.662 -8.183 1.00 0.00 C ATOM 351 O CYS A 24 2.034 -6.784 -8.349 1.00 0.00 O ATOM 352 CB CYS A 24 1.840 -5.431 -5.698 1.00 0.00 C ATOM 353 SG CYS A 24 3.313 -4.393 -5.835 1.00 0.00 S ATOM 0 H CYS A 24 -0.047 -7.139 -6.479 1.00 0.00 H new ATOM 0 HA CYS A 24 0.531 -4.265 -6.921 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.315 -5.177 -4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.150 -6.472 -5.611 1.00 0.00 H new ATOM 0 HG CYS A 24 3.026 -3.319 -6.509 1.00 0.00 H new ATOM 359 N ALA A 25 1.605 -4.712 -9.107 1.00 0.00 N ATOM 360 CA ALA A 25 2.109 -4.984 -10.439 1.00 0.00 C ATOM 361 C ALA A 25 2.876 -3.787 -10.976 1.00 0.00 C ATOM 362 O ALA A 25 2.487 -2.642 -10.747 1.00 0.00 O ATOM 363 CB ALA A 25 0.964 -5.345 -11.372 1.00 0.00 C ATOM 0 H ALA A 25 1.303 -3.750 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 25 2.793 -5.831 -10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.357 -5.547 -12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.454 -6.232 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.259 -4.515 -11.421 1.00 0.00 H new ATOM 369 N LYS A 26 3.982 -4.070 -11.664 1.00 0.00 N ATOM 370 CA LYS A 26 4.830 -3.041 -12.280 1.00 0.00 C ATOM 371 C LYS A 26 5.475 -2.150 -11.218 1.00 0.00 C ATOM 372 O LYS A 26 6.049 -1.107 -11.531 1.00 0.00 O ATOM 373 CB LYS A 26 4.047 -2.172 -13.285 1.00 0.00 C ATOM 374 CG LYS A 26 3.647 -2.889 -14.571 1.00 0.00 C ATOM 375 CD LYS A 26 2.527 -3.887 -14.338 1.00 0.00 C ATOM 376 CE LYS A 26 2.114 -4.592 -15.621 1.00 0.00 C ATOM 377 NZ LYS A 26 3.180 -5.491 -16.141 1.00 0.00 N ATOM 0 H LYS A 26 4.319 -5.021 -11.812 1.00 0.00 H new ATOM 0 HA LYS A 26 5.613 -3.567 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.146 -1.799 -12.798 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.653 -1.303 -13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.331 -2.155 -15.312 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.514 -3.406 -14.983 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.848 -4.627 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.665 -3.372 -13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.210 -5.172 -15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.868 -3.848 -16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.822 -6.012 -16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.006 -4.924 -16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.457 -6.166 -15.400 1.00 0.00 H new ATOM 391 N GLY A 27 5.380 -2.571 -9.963 1.00 0.00 N ATOM 392 CA GLY A 27 5.920 -1.786 -8.871 1.00 0.00 C ATOM 393 C GLY A 27 4.856 -0.945 -8.191 1.00 0.00 C ATOM 394 O GLY A 27 5.132 -0.250 -7.211 1.00 0.00 O ATOM 0 H GLY A 27 4.937 -3.446 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.378 -2.451 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.709 -1.136 -9.248 1.00 0.00 H new ATOM 398 N LYS A 28 3.637 -0.999 -8.710 1.00 0.00 N ATOM 399 CA LYS A 28 2.531 -0.258 -8.127 1.00 0.00 C ATOM 400 C LYS A 28 1.633 -1.177 -7.324 1.00 0.00 C ATOM 401 O LYS A 28 1.691 -2.399 -7.462 1.00 0.00 O ATOM 402 CB LYS A 28 1.682 0.404 -9.201 1.00 0.00 C ATOM 403 CG LYS A 28 2.456 1.258 -10.179 1.00 0.00 C ATOM 404 CD LYS A 28 1.504 2.042 -11.064 1.00 0.00 C ATOM 405 CE LYS A 28 2.239 2.995 -11.985 1.00 0.00 C ATOM 406 NZ LYS A 28 1.294 3.844 -12.757 1.00 0.00 N ATOM 0 H LYS A 28 3.391 -1.548 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 28 2.967 0.504 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.153 -0.371 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.926 1.023 -8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.107 1.944 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.098 0.627 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.909 1.349 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.809 2.604 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.904 3.629 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.865 2.427 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.830 4.484 -13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.676 3.239 -13.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.714 4.404 -12.100 1.00 0.00 H new ATOM 420 N ILE A 29 0.796 -0.580 -6.501 1.00 0.00 N ATOM 421 CA ILE A 29 -0.183 -1.313 -5.733 1.00 0.00 C ATOM 422 C ILE A 29 -1.589 -0.929 -6.178 1.00 0.00 C ATOM 423 O ILE A 29 -1.962 0.247 -6.146 1.00 0.00 O ATOM 424 CB ILE A 29 -0.031 -1.025 -4.227 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.380 -1.385 -3.756 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.072 -1.796 -3.430 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.655 -0.994 -2.321 1.00 0.00 C ATOM 0 H ILE A 29 0.777 0.428 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.019 -2.377 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.190 0.040 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.528 -2.459 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.107 -0.895 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.950 -1.581 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.070 -1.496 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.943 -2.865 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.673 -1.279 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.539 0.084 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.952 -1.505 -1.664 1.00 0.00 H new ATOM 439 N HIS A 30 -2.351 -1.916 -6.626 1.00 0.00 N ATOM 440 CA HIS A 30 -3.749 -1.696 -6.964 1.00 0.00 C ATOM 441 C HIS A 30 -4.563 -1.772 -5.693 1.00 0.00 C ATOM 442 O HIS A 30 -4.500 -2.769 -4.967 1.00 0.00 O ATOM 443 CB HIS A 30 -4.275 -2.735 -7.961 1.00 0.00 C ATOM 444 CG HIS A 30 -3.449 -2.881 -9.204 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.456 -4.021 -9.975 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.592 -2.026 -9.813 1.00 0.00 C ATOM 447 CE1 HIS A 30 -2.643 -3.866 -11.000 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.105 -2.663 -10.927 1.00 0.00 N ATOM 0 H HIS A 30 -2.026 -2.873 -6.763 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.837 -0.717 -7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.331 -3.702 -7.462 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.292 -2.464 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.339 -1.029 -9.483 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.450 -4.599 -11.769 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.437 -2.271 -11.590 1.00 0.00 H new ATOM 457 N LEU A 31 -5.312 -0.730 -5.416 1.00 0.00 N ATOM 458 CA LEU A 31 -6.043 -0.648 -4.168 1.00 0.00 C ATOM 459 C LEU A 31 -7.522 -0.424 -4.407 1.00 0.00 C ATOM 460 O LEU A 31 -7.922 0.369 -5.261 1.00 0.00 O ATOM 461 CB LEU A 31 -5.489 0.478 -3.295 1.00 0.00 C ATOM 462 CG LEU A 31 -4.043 0.297 -2.829 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.497 1.590 -2.249 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.959 -0.813 -1.796 1.00 0.00 C ATOM 0 H LEU A 31 -5.433 0.072 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.917 -1.600 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.559 1.413 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.126 0.580 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.438 0.024 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.468 1.437 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.526 2.370 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.105 1.892 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.925 -0.932 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.581 -0.559 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.311 -1.746 -2.235 1.00 0.00 H new ATOM 476 N HIS A 32 -8.323 -1.136 -3.644 1.00 0.00 N ATOM 477 CA HIS A 32 -9.762 -0.977 -3.675 1.00 0.00 C ATOM 478 C HIS A 32 -10.199 -0.270 -2.401 1.00 0.00 C ATOM 479 O HIS A 32 -10.184 -0.858 -1.323 1.00 0.00 O ATOM 480 CB HIS A 32 -10.440 -2.345 -3.816 1.00 0.00 C ATOM 481 CG HIS A 32 -11.929 -2.275 -3.965 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.802 -2.993 -3.180 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.698 -1.580 -4.836 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.039 -2.744 -3.562 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.006 -1.888 -4.564 1.00 0.00 N ATOM 0 H HIS A 32 -7.996 -1.842 -2.984 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.058 -0.375 -4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.022 -2.858 -4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.201 -2.949 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.346 -0.907 -5.604 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.931 -3.170 -3.127 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.819 -1.516 -5.055 1.00 0.00 H new ATOM 494 N LYS A 33 -10.560 0.999 -2.529 1.00 0.00 N ATOM 495 CA LYS A 33 -10.848 1.839 -1.374 1.00 0.00 C ATOM 496 C LYS A 33 -12.094 1.382 -0.646 1.00 0.00 C ATOM 497 O LYS A 33 -12.896 0.608 -1.177 1.00 0.00 O ATOM 498 CB LYS A 33 -11.023 3.294 -1.795 1.00 0.00 C ATOM 499 CG LYS A 33 -9.809 3.867 -2.493 1.00 0.00 C ATOM 500 CD LYS A 33 -9.756 5.381 -2.378 1.00 0.00 C ATOM 501 CE LYS A 33 -9.535 5.815 -0.937 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.806 6.029 -0.193 1.00 0.00 N ATOM 0 H LYS A 33 -10.661 1.472 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.997 1.752 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.885 3.372 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.244 3.896 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.905 3.438 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.826 3.582 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.953 5.768 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.686 5.810 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.942 5.059 -0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.954 6.737 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.728 6.889 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.590 6.137 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.990 5.211 0.423 1.00 0.00 H new ATOM 516 N ALA A 34 -12.273 1.909 0.557 1.00 0.00 N ATOM 517 CA ALA A 34 -13.398 1.517 1.396 1.00 0.00 C ATOM 518 C ALA A 34 -14.673 2.167 0.895 1.00 0.00 C ATOM 519 O ALA A 34 -15.774 1.804 1.302 1.00 0.00 O ATOM 520 CB ALA A 34 -13.145 1.873 2.851 1.00 0.00 C ATOM 0 H ALA A 34 -11.656 2.607 0.973 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.512 0.435 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.001 1.569 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.252 1.356 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.001 2.950 2.942 1.00 0.00 H new ATOM 526 N ASN A 35 -14.508 3.137 0.009 1.00 0.00 N ATOM 527 CA ASN A 35 -15.638 3.757 -0.668 1.00 0.00 C ATOM 528 C ASN A 35 -16.087 2.882 -1.829 1.00 0.00 C ATOM 529 O ASN A 35 -17.237 2.940 -2.257 1.00 0.00 O ATOM 530 CB ASN A 35 -15.271 5.148 -1.204 1.00 0.00 C ATOM 531 CG ASN A 35 -15.034 6.178 -0.113 1.00 0.00 C ATOM 532 OD1 ASN A 35 -14.564 5.855 0.976 1.00 0.00 O ATOM 533 ND2 ASN A 35 -15.355 7.430 -0.404 1.00 0.00 N ATOM 0 H ASN A 35 -13.599 3.514 -0.259 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.445 3.863 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.373 5.067 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.071 5.499 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.214 8.166 0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.743 7.657 -1.320 1.00 0.00 H new ATOM 540 N GLY A 36 -15.170 2.053 -2.323 1.00 0.00 N ATOM 541 CA GLY A 36 -15.432 1.272 -3.518 1.00 0.00 C ATOM 542 C GLY A 36 -14.599 1.751 -4.692 1.00 0.00 C ATOM 543 O GLY A 36 -14.470 1.058 -5.702 1.00 0.00 O ATOM 0 H GLY A 36 -14.247 1.909 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.215 0.222 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.490 1.337 -3.771 1.00 0.00 H new ATOM 547 N VAL A 37 -14.034 2.943 -4.549 1.00 0.00 N ATOM 548 CA VAL A 37 -13.174 3.527 -5.575 1.00 0.00 C ATOM 549 C VAL A 37 -11.894 2.706 -5.731 1.00 0.00 C ATOM 550 O VAL A 37 -11.362 2.190 -4.753 1.00 0.00 O ATOM 551 CB VAL A 37 -12.806 4.985 -5.218 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.027 5.647 -6.344 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.057 5.787 -4.893 1.00 0.00 C ATOM 0 H VAL A 37 -14.157 3.531 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.725 3.520 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.167 4.963 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.782 6.672 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.107 5.091 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.632 5.653 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.778 6.811 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.721 5.792 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.569 5.334 -4.044 1.00 0.00 H new ATOM 563 N LYS A 38 -11.412 2.568 -6.953 1.00 0.00 N ATOM 564 CA LYS A 38 -10.187 1.829 -7.202 1.00 0.00 C ATOM 565 C LYS A 38 -9.063 2.778 -7.590 1.00 0.00 C ATOM 566 O LYS A 38 -9.224 3.635 -8.462 1.00 0.00 O ATOM 567 CB LYS A 38 -10.417 0.782 -8.287 1.00 0.00 C ATOM 568 CG LYS A 38 -9.175 -0.003 -8.673 1.00 0.00 C ATOM 569 CD LYS A 38 -9.517 -1.107 -9.655 1.00 0.00 C ATOM 570 CE LYS A 38 -8.288 -1.893 -10.072 1.00 0.00 C ATOM 571 NZ LYS A 38 -8.642 -3.018 -10.974 1.00 0.00 N ATOM 0 H LYS A 38 -11.850 2.958 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.893 1.315 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.182 0.084 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.810 1.277 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.439 0.668 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.719 -0.432 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.244 -1.782 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.988 -0.675 -10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.584 -1.230 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.784 -2.280 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.779 -3.534 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.295 -3.663 -10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.100 -2.646 -11.830 1.00 0.00 H new ATOM 585 N ILE A 39 -7.929 2.626 -6.929 1.00 0.00 N ATOM 586 CA ILE A 39 -6.787 3.502 -7.153 1.00 0.00 C ATOM 587 C ILE A 39 -5.539 2.680 -7.451 1.00 0.00 C ATOM 588 O ILE A 39 -5.520 1.461 -7.242 1.00 0.00 O ATOM 589 CB ILE A 39 -6.511 4.427 -5.935 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.946 3.631 -4.752 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.780 5.165 -5.519 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.749 4.455 -3.497 1.00 0.00 C ATOM 0 H ILE A 39 -7.772 1.901 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.032 4.131 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.765 5.161 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.619 2.803 -4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.990 3.196 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.564 5.807 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.136 5.774 -6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.548 4.442 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.347 3.822 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.052 5.268 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.706 4.869 -3.180 1.00 0.00 H new ATOM 604 N ALA A 40 -4.504 3.345 -7.941 1.00 0.00 N ATOM 605 CA ALA A 40 -3.242 2.689 -8.239 1.00 0.00 C ATOM 606 C ALA A 40 -2.085 3.539 -7.743 1.00 0.00 C ATOM 607 O ALA A 40 -1.717 4.541 -8.365 1.00 0.00 O ATOM 608 CB ALA A 40 -3.110 2.424 -9.734 1.00 0.00 C ATOM 0 H ALA A 40 -4.515 4.345 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.219 1.729 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.158 1.932 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.926 1.781 -10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.151 3.369 -10.276 1.00 0.00 H new ATOM 614 N VAL A 41 -1.512 3.134 -6.626 1.00 0.00 N ATOM 615 CA VAL A 41 -0.440 3.888 -6.001 1.00 0.00 C ATOM 616 C VAL A 41 0.842 3.066 -6.002 1.00 0.00 C ATOM 617 O VAL A 41 0.848 1.921 -5.560 1.00 0.00 O ATOM 618 CB VAL A 41 -0.801 4.284 -4.552 1.00 0.00 C ATOM 619 CG1 VAL A 41 0.334 5.057 -3.903 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.081 5.105 -4.520 1.00 0.00 C ATOM 0 H VAL A 41 -1.772 2.282 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.292 4.801 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.962 3.367 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.056 5.325 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.231 4.438 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.531 5.964 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.316 5.373 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.946 6.012 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.900 4.519 -4.938 1.00 0.00 H new ATOM 630 N ALA A 42 1.910 3.645 -6.530 1.00 0.00 N ATOM 631 CA ALA A 42 3.200 2.971 -6.583 1.00 0.00 C ATOM 632 C ALA A 42 3.675 2.607 -5.182 1.00 0.00 C ATOM 633 O ALA A 42 3.601 3.420 -4.262 1.00 0.00 O ATOM 634 CB ALA A 42 4.227 3.850 -7.283 1.00 0.00 C ATOM 0 H ALA A 42 1.909 4.584 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 42 3.084 2.050 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.186 3.334 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.894 4.060 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.337 4.787 -6.736 1.00 0.00 H new ATOM 640 N ALA A 43 4.170 1.381 -5.041 1.00 0.00 N ATOM 641 CA ALA A 43 4.605 0.849 -3.746 1.00 0.00 C ATOM 642 C ALA A 43 5.824 1.588 -3.193 1.00 0.00 C ATOM 643 O ALA A 43 6.248 1.351 -2.070 1.00 0.00 O ATOM 644 CB ALA A 43 4.917 -0.634 -3.877 1.00 0.00 C ATOM 0 H ALA A 43 4.282 0.727 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 43 3.787 0.998 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.240 -1.025 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.024 -1.166 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.712 -0.775 -4.610 1.00 0.00 H new ATOM 650 N ASP A 44 6.372 2.482 -3.989 1.00 0.00 N ATOM 651 CA ASP A 44 7.586 3.206 -3.618 1.00 0.00 C ATOM 652 C ASP A 44 7.254 4.499 -2.882 1.00 0.00 C ATOM 653 O ASP A 44 7.893 4.847 -1.891 1.00 0.00 O ATOM 654 CB ASP A 44 8.419 3.508 -4.869 1.00 0.00 C ATOM 655 CG ASP A 44 9.550 4.486 -4.609 1.00 0.00 C ATOM 656 OD1 ASP A 44 10.650 4.046 -4.225 1.00 0.00 O ATOM 657 OD2 ASP A 44 9.354 5.705 -4.819 1.00 0.00 O ATOM 0 H ASP A 44 5.998 2.731 -4.905 1.00 0.00 H new ATOM 0 HA ASP A 44 8.166 2.575 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.833 2.577 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.767 3.913 -5.643 1.00 0.00 H new ATOM 662 N LYS A 45 6.233 5.200 -3.356 1.00 0.00 N ATOM 663 CA LYS A 45 5.869 6.496 -2.800 1.00 0.00 C ATOM 664 C LYS A 45 4.911 6.359 -1.627 1.00 0.00 C ATOM 665 O LYS A 45 4.179 7.292 -1.303 1.00 0.00 O ATOM 666 CB LYS A 45 5.218 7.341 -3.858 1.00 0.00 C ATOM 667 CG LYS A 45 3.933 6.759 -4.388 1.00 0.00 C ATOM 668 CD LYS A 45 3.344 7.711 -5.374 1.00 0.00 C ATOM 669 CE LYS A 45 2.419 8.729 -4.714 1.00 0.00 C ATOM 670 NZ LYS A 45 3.153 9.711 -3.867 1.00 0.00 N ATOM 0 H LYS A 45 5.640 4.892 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 45 6.786 6.967 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.017 8.331 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.915 7.474 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.122 5.795 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.234 6.582 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.146 8.235 -5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.788 7.153 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.865 9.264 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.686 8.204 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.697 10.643 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.136 9.396 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.139 9.781 -4.191 1.00 0.00 H new ATOM 684 N LEU A 46 4.903 5.202 -1.006 1.00 0.00 N ATOM 685 CA LEU A 46 3.951 4.911 0.038 1.00 0.00 C ATOM 686 C LEU A 46 4.651 4.796 1.387 1.00 0.00 C ATOM 687 O LEU A 46 5.882 4.730 1.453 1.00 0.00 O ATOM 688 CB LEU A 46 3.272 3.606 -0.325 1.00 0.00 C ATOM 689 CG LEU A 46 1.824 3.452 0.108 1.00 0.00 C ATOM 690 CD1 LEU A 46 0.969 4.608 -0.410 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.318 2.131 -0.421 1.00 0.00 C ATOM 0 H LEU A 46 5.552 4.442 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 46 3.218 5.713 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.319 3.487 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.847 2.789 0.111 1.00 0.00 H new ATOM 0 HG LEU A 46 1.758 3.471 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.062 4.472 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.352 5.549 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.007 4.629 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.278 1.994 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.389 2.124 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.921 1.320 -0.013 1.00 0.00 H new ATOM 703 N SER A 47 3.867 4.792 2.457 1.00 0.00 N ATOM 704 CA SER A 47 4.401 4.600 3.794 1.00 0.00 C ATOM 705 C SER A 47 4.988 3.204 3.914 1.00 0.00 C ATOM 706 O SER A 47 4.344 2.206 3.581 1.00 0.00 O ATOM 707 CB SER A 47 3.311 4.819 4.847 1.00 0.00 C ATOM 708 OG SER A 47 3.760 4.476 6.149 1.00 0.00 O ATOM 0 H SER A 47 2.856 4.920 2.422 1.00 0.00 H new ATOM 0 HA SER A 47 5.189 5.332 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.997 5.863 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.436 4.220 4.595 1.00 0.00 H new ATOM 0 HG SER A 47 3.039 4.630 6.795 1.00 0.00 H new ATOM 714 N ASN A 48 6.217 3.141 4.393 1.00 0.00 N ATOM 715 CA ASN A 48 6.967 1.892 4.419 1.00 0.00 C ATOM 716 C ASN A 48 6.338 0.911 5.390 1.00 0.00 C ATOM 717 O ASN A 48 6.543 -0.298 5.286 1.00 0.00 O ATOM 718 CB ASN A 48 8.421 2.145 4.792 1.00 0.00 C ATOM 719 CG ASN A 48 9.082 3.196 3.915 1.00 0.00 C ATOM 720 OD1 ASN A 48 10.034 3.856 4.327 1.00 0.00 O ATOM 721 ND2 ASN A 48 8.580 3.365 2.697 1.00 0.00 N ATOM 0 H ASN A 48 6.722 3.943 4.772 1.00 0.00 H new ATOM 0 HA ASN A 48 6.937 1.458 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.474 2.462 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.978 1.212 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.985 4.060 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.789 2.799 2.388 1.00 0.00 H new ATOM 728 N GLU A 49 5.570 1.444 6.329 1.00 0.00 N ATOM 729 CA GLU A 49 4.761 0.657 7.209 1.00 0.00 C ATOM 730 C GLU A 49 3.757 -0.139 6.391 1.00 0.00 C ATOM 731 O GLU A 49 3.619 -1.357 6.540 1.00 0.00 O ATOM 732 CB GLU A 49 4.040 1.615 8.141 1.00 0.00 C ATOM 733 CG GLU A 49 4.942 2.277 9.166 1.00 0.00 C ATOM 734 CD GLU A 49 5.289 1.349 10.306 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.162 0.480 10.126 1.00 0.00 O ATOM 736 OE2 GLU A 49 4.670 1.474 11.383 1.00 0.00 O ATOM 0 H GLU A 49 5.500 2.448 6.492 1.00 0.00 H new ATOM 0 HA GLU A 49 5.368 -0.043 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.555 2.389 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.251 1.073 8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.859 2.610 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.449 3.166 9.561 1.00 0.00 H new ATOM 743 N ASP A 50 3.095 0.565 5.484 1.00 0.00 N ATOM 744 CA ASP A 50 2.114 -0.017 4.629 1.00 0.00 C ATOM 745 C ASP A 50 2.757 -0.987 3.650 1.00 0.00 C ATOM 746 O ASP A 50 2.146 -1.987 3.285 1.00 0.00 O ATOM 747 CB ASP A 50 1.383 1.098 3.901 1.00 0.00 C ATOM 748 CG ASP A 50 0.347 1.780 4.776 1.00 0.00 C ATOM 749 OD1 ASP A 50 -0.639 1.121 5.155 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.522 2.977 5.098 1.00 0.00 O ATOM 0 H ASP A 50 3.237 1.564 5.333 1.00 0.00 H new ATOM 0 HA ASP A 50 1.400 -0.589 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.106 1.837 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.895 0.691 3.015 1.00 0.00 H new ATOM 755 N LEU A 51 4.003 -0.718 3.245 1.00 0.00 N ATOM 756 CA LEU A 51 4.698 -1.642 2.365 1.00 0.00 C ATOM 757 C LEU A 51 5.032 -2.923 3.102 1.00 0.00 C ATOM 758 O LEU A 51 4.881 -4.006 2.552 1.00 0.00 O ATOM 759 CB LEU A 51 5.977 -1.037 1.776 1.00 0.00 C ATOM 760 CG LEU A 51 5.782 -0.027 0.640 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.409 -0.180 0.000 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.002 1.390 1.130 1.00 0.00 C ATOM 0 H LEU A 51 4.534 0.112 3.508 1.00 0.00 H new ATOM 0 HA LEU A 51 4.023 -1.859 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.527 -0.548 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.604 -1.850 1.409 1.00 0.00 H new ATOM 0 HG LEU A 51 6.530 -0.236 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.298 0.549 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.307 -1.186 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.637 -0.013 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.858 2.087 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.290 1.615 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.017 1.488 1.515 1.00 0.00 H new ATOM 774 N ALA A 52 5.459 -2.795 4.357 1.00 0.00 N ATOM 775 CA ALA A 52 5.784 -3.951 5.178 1.00 0.00 C ATOM 776 C ALA A 52 4.528 -4.762 5.432 1.00 0.00 C ATOM 777 O ALA A 52 4.578 -5.972 5.632 1.00 0.00 O ATOM 778 CB ALA A 52 6.419 -3.516 6.492 1.00 0.00 C ATOM 0 H ALA A 52 5.587 -1.898 4.825 1.00 0.00 H new ATOM 0 HA ALA A 52 6.506 -4.572 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.654 -4.396 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.334 -2.961 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.723 -2.880 7.039 1.00 0.00 H new ATOM 784 N TYR A 53 3.401 -4.077 5.419 1.00 0.00 N ATOM 785 CA TYR A 53 2.113 -4.724 5.553 1.00 0.00 C ATOM 786 C TYR A 53 1.722 -5.477 4.271 1.00 0.00 C ATOM 787 O TYR A 53 1.408 -6.671 4.309 1.00 0.00 O ATOM 788 CB TYR A 53 1.078 -3.653 5.899 1.00 0.00 C ATOM 789 CG TYR A 53 -0.355 -4.070 5.683 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.977 -4.985 6.519 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.084 -3.541 4.628 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.290 -5.359 6.309 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.393 -3.907 4.412 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.993 -4.817 5.253 1.00 0.00 C ATOM 795 OH TYR A 53 -4.302 -5.183 5.043 1.00 0.00 O ATOM 0 H TYR A 53 3.353 -3.063 5.316 1.00 0.00 H new ATOM 0 HA TYR A 53 2.160 -5.469 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.206 -3.367 6.943 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.279 -2.766 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.427 -5.411 7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.616 -2.829 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.764 -6.072 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.946 -3.483 3.587 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.652 -4.710 4.260 1.00 0.00 H new ATOM 805 N VAL A 54 1.798 -4.801 3.129 1.00 0.00 N ATOM 806 CA VAL A 54 1.335 -5.384 1.871 1.00 0.00 C ATOM 807 C VAL A 54 2.259 -6.504 1.408 1.00 0.00 C ATOM 808 O VAL A 54 1.809 -7.498 0.821 1.00 0.00 O ATOM 809 CB VAL A 54 1.165 -4.317 0.763 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.368 -3.425 0.662 1.00 0.00 C ATOM 811 CG2 VAL A 54 0.867 -4.954 -0.584 1.00 0.00 C ATOM 0 H VAL A 54 2.173 -3.856 3.047 1.00 0.00 H new ATOM 0 HA VAL A 54 0.351 -5.812 2.064 1.00 0.00 H new ATOM 0 HB VAL A 54 0.311 -3.703 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.210 -2.689 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.521 -2.912 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.247 -4.025 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.754 -4.175 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.688 -5.614 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.055 -5.531 -0.517 1.00 0.00 H new ATOM 821 N GLU A 55 3.544 -6.364 1.696 1.00 0.00 N ATOM 822 CA GLU A 55 4.485 -7.433 1.413 1.00 0.00 C ATOM 823 C GLU A 55 4.169 -8.647 2.281 1.00 0.00 C ATOM 824 O GLU A 55 4.458 -9.783 1.913 1.00 0.00 O ATOM 825 CB GLU A 55 5.938 -6.981 1.601 1.00 0.00 C ATOM 826 CG GLU A 55 6.287 -6.475 2.989 1.00 0.00 C ATOM 827 CD GLU A 55 7.710 -6.791 3.397 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.610 -5.976 3.104 1.00 0.00 O ATOM 829 OE2 GLU A 55 7.939 -7.847 4.018 1.00 0.00 O ATOM 0 H GLU A 55 3.954 -5.532 2.120 1.00 0.00 H new ATOM 0 HA GLU A 55 4.376 -7.711 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.595 -7.817 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.151 -6.192 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.137 -5.396 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.602 -6.916 3.713 1.00 0.00 H new ATOM 836 N LYS A 56 3.524 -8.404 3.413 1.00 0.00 N ATOM 837 CA LYS A 56 3.090 -9.491 4.273 1.00 0.00 C ATOM 838 C LYS A 56 1.786 -10.088 3.764 1.00 0.00 C ATOM 839 O LYS A 56 1.503 -11.260 3.996 1.00 0.00 O ATOM 840 CB LYS A 56 2.954 -9.027 5.724 1.00 0.00 C ATOM 841 CG LYS A 56 4.283 -8.925 6.466 1.00 0.00 C ATOM 842 CD LYS A 56 4.834 -10.294 6.843 1.00 0.00 C ATOM 843 CE LYS A 56 5.297 -11.090 5.631 1.00 0.00 C ATOM 844 NZ LYS A 56 5.560 -12.511 5.972 1.00 0.00 N ATOM 0 H LYS A 56 3.292 -7.471 3.754 1.00 0.00 H new ATOM 0 HA LYS A 56 3.853 -10.269 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.464 -8.053 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.303 -9.720 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.007 -8.402 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.150 -8.327 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.669 -10.169 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.066 -10.858 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.538 -11.038 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.203 -10.640 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.873 -13.020 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.302 -12.562 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.689 -12.948 6.336 1.00 0.00 H new ATOM 858 N ILE A 57 0.993 -9.279 3.069 1.00 0.00 N ATOM 859 CA ILE A 57 -0.197 -9.787 2.388 1.00 0.00 C ATOM 860 C ILE A 57 0.214 -10.760 1.293 1.00 0.00 C ATOM 861 O ILE A 57 -0.397 -11.814 1.115 1.00 0.00 O ATOM 862 CB ILE A 57 -1.034 -8.655 1.740 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.403 -7.602 2.780 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.295 -9.216 1.078 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.204 -6.451 2.212 1.00 0.00 C ATOM 0 H ILE A 57 1.149 -8.277 2.962 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.809 -10.280 3.144 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.426 -8.184 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.976 -8.075 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.490 -7.212 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.864 -8.401 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.013 -9.929 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.907 -9.718 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.432 -5.740 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.625 -5.953 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.133 -6.830 1.786 1.00 0.00 H new ATOM 877 N THR A 58 1.268 -10.402 0.575 1.00 0.00 N ATOM 878 CA THR A 58 1.691 -11.168 -0.589 1.00 0.00 C ATOM 879 C THR A 58 2.619 -12.323 -0.230 1.00 0.00 C ATOM 880 O THR A 58 2.420 -13.452 -0.683 1.00 0.00 O ATOM 881 CB THR A 58 2.402 -10.267 -1.611 1.00 0.00 C ATOM 882 OG1 THR A 58 3.290 -9.371 -0.933 1.00 0.00 O ATOM 883 CG2 THR A 58 1.404 -9.475 -2.431 1.00 0.00 C ATOM 0 H THR A 58 1.846 -9.586 0.777 1.00 0.00 H new ATOM 0 HA THR A 58 0.780 -11.582 -1.021 1.00 0.00 H new ATOM 0 HB THR A 58 2.970 -10.904 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.742 -8.800 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.937 -8.847 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.749 -10.161 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.807 -8.847 -1.770 1.00 0.00 H new ATOM 891 N GLY A 59 3.621 -12.040 0.589 1.00 0.00 N ATOM 892 CA GLY A 59 4.645 -13.023 0.881 1.00 0.00 C ATOM 893 C GLY A 59 5.995 -12.566 0.372 1.00 0.00 C ATOM 894 O GLY A 59 7.029 -13.162 0.677 1.00 0.00 O ATOM 0 H GLY A 59 3.744 -11.143 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.696 -13.192 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.382 -13.975 0.421 1.00 0.00 H new ATOM 898 N PHE A 60 5.976 -11.491 -0.408 1.00 0.00 N ATOM 899 CA PHE A 60 7.193 -10.881 -0.923 1.00 0.00 C ATOM 900 C PHE A 60 7.684 -9.842 0.075 1.00 0.00 C ATOM 901 O PHE A 60 7.149 -9.745 1.173 1.00 0.00 O ATOM 902 CB PHE A 60 6.922 -10.219 -2.280 1.00 0.00 C ATOM 903 CG PHE A 60 6.320 -11.145 -3.301 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.092 -12.119 -3.913 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.982 -11.042 -3.647 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.543 -12.968 -4.854 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.427 -11.890 -4.586 1.00 0.00 C ATOM 908 CZ PHE A 60 5.209 -12.854 -5.190 1.00 0.00 C ATOM 0 H PHE A 60 5.119 -11.020 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 60 7.955 -11.648 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.252 -9.372 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.858 -9.821 -2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.135 -12.216 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.366 -10.290 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.157 -13.720 -5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.383 -11.799 -4.847 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.778 -13.518 -5.924 1.00 0.00 H new ATOM 918 N SER A 61 8.697 -9.076 -0.283 1.00 0.00 N ATOM 919 CA SER A 61 9.169 -8.014 0.584 1.00 0.00 C ATOM 920 C SER A 61 9.326 -6.717 -0.196 1.00 0.00 C ATOM 921 O SER A 61 9.984 -6.683 -1.236 1.00 0.00 O ATOM 922 CB SER A 61 10.494 -8.407 1.230 1.00 0.00 C ATOM 923 OG SER A 61 10.866 -7.481 2.243 1.00 0.00 O ATOM 0 H SER A 61 9.206 -9.168 -1.162 1.00 0.00 H new ATOM 0 HA SER A 61 8.430 -7.857 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.411 -9.406 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.274 -8.451 0.470 1.00 0.00 H new ATOM 0 HG SER A 61 10.085 -6.949 2.503 1.00 0.00 H new ATOM 929 N LEU A 62 8.731 -5.646 0.317 1.00 0.00 N ATOM 930 CA LEU A 62 8.791 -4.355 -0.356 1.00 0.00 C ATOM 931 C LEU A 62 9.919 -3.520 0.221 1.00 0.00 C ATOM 932 O LEU A 62 9.880 -2.297 0.187 1.00 0.00 O ATOM 933 CB LEU A 62 7.453 -3.602 -0.259 1.00 0.00 C ATOM 934 CG LEU A 62 6.227 -4.389 -0.736 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.084 -3.449 -1.043 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.547 -5.236 -1.956 1.00 0.00 C ATOM 0 H LEU A 62 8.205 -5.646 1.191 1.00 0.00 H new ATOM 0 HA LEU A 62 8.987 -4.535 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.295 -3.307 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.527 -2.685 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 62 5.932 -5.060 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.221 -4.023 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.820 -2.892 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.385 -2.753 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.654 -5.780 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.880 -4.591 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.337 -5.946 -1.709 1.00 0.00 H new ATOM 948 N GLU A 63 10.917 -4.212 0.762 1.00 0.00 N ATOM 949 CA GLU A 63 12.135 -3.608 1.278 1.00 0.00 C ATOM 950 C GLU A 63 12.687 -2.541 0.329 1.00 0.00 C ATOM 951 O GLU A 63 12.952 -1.407 0.727 1.00 0.00 O ATOM 952 CB GLU A 63 13.154 -4.722 1.433 1.00 0.00 C ATOM 953 CG GLU A 63 13.987 -4.649 2.691 1.00 0.00 C ATOM 954 CD GLU A 63 13.170 -4.830 3.952 1.00 0.00 C ATOM 955 OE1 GLU A 63 12.440 -3.895 4.336 1.00 0.00 O ATOM 956 OE2 GLU A 63 13.262 -5.910 4.577 1.00 0.00 O ATOM 0 H GLU A 63 10.899 -5.228 0.855 1.00 0.00 H new ATOM 0 HA GLU A 63 11.924 -3.116 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.631 -5.678 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.821 -4.707 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.761 -5.416 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.495 -3.685 2.729 1.00 0.00 H new ATOM 963 N LYS A 64 12.829 -2.921 -0.934 1.00 0.00 N ATOM 964 CA LYS A 64 13.410 -2.054 -1.958 1.00 0.00 C ATOM 965 C LYS A 64 12.480 -0.900 -2.328 1.00 0.00 C ATOM 966 O LYS A 64 12.878 0.021 -3.041 1.00 0.00 O ATOM 967 CB LYS A 64 13.730 -2.888 -3.197 1.00 0.00 C ATOM 968 CG LYS A 64 12.538 -3.679 -3.708 1.00 0.00 C ATOM 969 CD LYS A 64 12.962 -4.751 -4.697 1.00 0.00 C ATOM 970 CE LYS A 64 11.783 -5.612 -5.117 1.00 0.00 C ATOM 971 NZ LYS A 64 12.197 -6.735 -5.996 1.00 0.00 N ATOM 0 H LYS A 64 12.546 -3.838 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 64 14.322 -1.615 -1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.087 -2.229 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.542 -3.576 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.021 -4.142 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.829 -3.002 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.405 -4.283 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.732 -5.379 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.290 -6.009 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.051 -4.995 -5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.362 -7.296 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.644 -6.357 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.876 -7.340 -5.490 1.00 0.00 H new ATOM 985 N PHE A 65 11.246 -0.959 -1.848 1.00 0.00 N ATOM 986 CA PHE A 65 10.268 0.097 -2.097 1.00 0.00 C ATOM 987 C PHE A 65 10.165 1.008 -0.883 1.00 0.00 C ATOM 988 O PHE A 65 9.390 1.961 -0.864 1.00 0.00 O ATOM 989 CB PHE A 65 8.893 -0.500 -2.409 1.00 0.00 C ATOM 990 CG PHE A 65 8.835 -1.263 -3.701 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.658 -0.599 -4.903 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.951 -2.644 -3.713 1.00 0.00 C ATOM 993 CE1 PHE A 65 8.597 -1.295 -6.093 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.892 -3.347 -4.901 1.00 0.00 C ATOM 995 CZ PHE A 65 8.716 -2.670 -6.094 1.00 0.00 C ATOM 0 H PHE A 65 10.894 -1.730 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 65 10.602 0.676 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.604 -1.164 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.158 0.304 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.567 0.477 -4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.089 -3.176 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.456 -0.764 -7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.983 -4.423 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.672 -3.216 -7.025 1.00 0.00 H new ATOM 1005 N LYS A 66 10.953 0.704 0.136 1.00 0.00 N ATOM 1006 CA LYS A 66 10.917 1.464 1.373 1.00 0.00 C ATOM 1007 C LYS A 66 12.005 2.530 1.385 1.00 0.00 C ATOM 1008 O LYS A 66 13.110 2.309 0.893 1.00 0.00 O ATOM 1009 CB LYS A 66 11.084 0.532 2.574 1.00 0.00 C ATOM 1010 CG LYS A 66 9.995 -0.522 2.678 1.00 0.00 C ATOM 1011 CD LYS A 66 10.324 -1.562 3.735 1.00 0.00 C ATOM 1012 CE LYS A 66 9.355 -2.733 3.685 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.782 -3.846 4.571 1.00 0.00 N ATOM 0 H LYS A 66 11.625 -0.064 0.130 1.00 0.00 H new ATOM 0 HA LYS A 66 9.948 1.959 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.053 0.037 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.092 1.127 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.046 -0.043 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.868 -1.011 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.341 -1.924 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.290 -1.102 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.362 -2.395 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.276 -3.095 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.623 -4.754 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.793 -3.744 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.229 -3.820 5.452 1.00 0.00 H new ATOM 1027 N ALA A 67 11.684 3.678 1.965 1.00 0.00 N ATOM 1028 CA ALA A 67 12.640 4.766 2.108 1.00 0.00 C ATOM 1029 C ALA A 67 13.346 4.650 3.450 1.00 0.00 C ATOM 1030 O ALA A 67 13.831 5.632 4.014 1.00 0.00 O ATOM 1031 CB ALA A 67 11.938 6.111 1.982 1.00 0.00 C ATOM 0 H ALA A 67 10.760 3.880 2.347 1.00 0.00 H new ATOM 0 HA ALA A 67 13.382 4.698 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.667 6.914 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.463 6.183 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.181 6.200 2.761 1.00 0.00 H new ATOM 1037 N ASN A 68 13.374 3.429 3.960 1.00 0.00 N ATOM 1038 CA ASN A 68 14.004 3.129 5.231 1.00 0.00 C ATOM 1039 C ASN A 68 15.390 2.558 4.991 1.00 0.00 C ATOM 1040 O ASN A 68 16.375 3.305 5.154 1.00 0.00 O ATOM 1041 CB ASN A 68 13.143 2.140 6.027 1.00 0.00 C ATOM 1042 CG ASN A 68 13.795 1.696 7.323 1.00 0.00 C ATOM 1043 OD1 ASN A 68 13.689 2.368 8.349 1.00 0.00 O ATOM 1044 ND2 ASN A 68 14.449 0.546 7.292 1.00 0.00 N ATOM 1045 OXT ASN A 68 15.486 1.380 4.595 1.00 0.00 O ATOM 0 H ASN A 68 12.959 2.618 3.501 1.00 0.00 H new ATOM 0 HA ASN A 68 14.097 4.046 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.181 2.602 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.941 1.265 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.888 0.186 8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.514 0.019 6.421 1.00 0.00 H new TER 1052 ASN A 68