USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= -20! C(o=-20!,f=-29!) USER MOD Set 1.2: A1318 ATP O2' : rot 9:sc= -0.464 USER MOD Set 1.3: A1318 ATP O3' : rot 38:sc= 0.204 USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 THR OG1 : rot 84:sc= -5.07! USER MOD Set 3.1: A 30 MET CE :methyl 154:sc= -9.04! (180deg=-9.83!) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -11.9! C(o=-21!,f=-29!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0236 (180deg=-0.567) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -4.63! (180deg=-5.6!) USER MOD Single : A 22 ASN : amide:sc= -2.01! C(o=-2!,f=-8.8!) USER MOD Single : A 24 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-11!) USER MOD Single : A 28 TYR OH : rot 30:sc= -1.38! USER MOD Single : A 29 ASN : amide:sc= 0.0972 X(o=0.097,f=-0.022) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.218 (180deg=-1.09) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 36 ASN : amide:sc= -3.13! C(o=-3.1!,f=-1.8!) USER MOD Single : A 37 ASN : amide:sc=-0.00202 X(o=-0.002,f=-0.15) USER MOD Single : A 38 SER OG : rot 91:sc= -4.22! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.364 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -168:sc= -0.196 (180deg=-0.692) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.007 3.329 7.894 1.00 0.00 N ATOM 2 CA GLY A 1 -22.341 3.500 7.250 1.00 0.00 C ATOM 3 C GLY A 1 -22.377 2.718 5.942 1.00 0.00 C ATOM 4 O GLY A 1 -22.504 1.495 5.941 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.981 3.862 8.787 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.842 2.321 8.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.266 3.685 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.127 3.148 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.533 4.556 7.060 1.00 0.00 H new ATOM 10 N SER A 2 -22.263 3.436 4.829 1.00 0.00 N ATOM 11 CA SER A 2 -22.283 2.799 3.518 1.00 0.00 C ATOM 12 C SER A 2 -20.961 3.035 2.792 1.00 0.00 C ATOM 13 O SER A 2 -20.486 4.167 2.701 1.00 0.00 O ATOM 14 CB SER A 2 -23.435 3.357 2.681 1.00 0.00 C ATOM 15 OG SER A 2 -23.152 3.162 1.302 1.00 0.00 O ATOM 0 H SER A 2 -22.157 4.450 4.808 1.00 0.00 H new ATOM 0 HA SER A 2 -22.425 1.727 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.367 2.859 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.570 4.418 2.890 1.00 0.00 H new ATOM 0 HG SER A 2 -23.889 3.517 0.763 1.00 0.00 H new ATOM 21 N PHE A 3 -20.373 1.960 2.278 1.00 0.00 N ATOM 22 CA PHE A 3 -19.106 2.066 1.563 1.00 0.00 C ATOM 23 C PHE A 3 -18.877 0.837 0.689 1.00 0.00 C ATOM 24 O PHE A 3 -18.381 -0.188 1.158 1.00 0.00 O ATOM 25 CB PHE A 3 -17.954 2.205 2.561 1.00 0.00 C ATOM 26 CG PHE A 3 -16.811 2.944 1.909 1.00 0.00 C ATOM 27 CD1 PHE A 3 -16.745 4.341 1.983 1.00 0.00 C ATOM 28 CD2 PHE A 3 -15.816 2.232 1.230 1.00 0.00 C ATOM 29 CE1 PHE A 3 -15.685 5.025 1.377 1.00 0.00 C ATOM 30 CE2 PHE A 3 -14.755 2.916 0.624 1.00 0.00 C ATOM 31 CZ PHE A 3 -14.690 4.312 0.697 1.00 0.00 C ATOM 0 H PHE A 3 -20.749 1.014 2.342 1.00 0.00 H new ATOM 0 HA PHE A 3 -19.144 2.949 0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -18.290 2.742 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -17.623 1.220 2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -17.512 4.891 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.866 1.155 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -15.634 6.102 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.987 2.366 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.872 4.840 0.229 1.00 0.00 H new ATOM 41 N ARG A 4 -19.239 0.948 -0.585 1.00 0.00 N ATOM 42 CA ARG A 4 -19.069 -0.160 -1.519 1.00 0.00 C ATOM 43 C ARG A 4 -17.649 -0.715 -1.440 1.00 0.00 C ATOM 44 O ARG A 4 -16.837 -0.261 -0.634 1.00 0.00 O ATOM 45 CB ARG A 4 -19.349 0.315 -2.947 1.00 0.00 C ATOM 46 CG ARG A 4 -20.859 0.462 -3.151 1.00 0.00 C ATOM 47 CD ARG A 4 -21.367 -0.681 -4.031 1.00 0.00 C ATOM 48 NE ARG A 4 -20.901 -1.961 -3.511 1.00 0.00 N ATOM 49 CZ ARG A 4 -21.605 -3.072 -3.690 1.00 0.00 C ATOM 50 NH1 ARG A 4 -22.735 -3.027 -4.340 1.00 0.00 N ATOM 51 NH2 ARG A 4 -21.167 -4.208 -3.221 1.00 0.00 N ATOM 0 H ARG A 4 -19.649 1.788 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 4 -19.773 -0.948 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -18.853 1.268 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.942 -0.398 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -21.370 0.449 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -21.082 1.422 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.456 -0.668 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -21.016 -0.546 -5.054 1.00 0.00 H new ATOM 0 HE ARG A 4 -20.019 -2.003 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -23.076 -2.139 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -23.278 -3.879 -4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -20.282 -4.244 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -21.710 -5.060 -3.360 1.00 0.00 H new ATOM 65 N VAL A 5 -17.355 -1.696 -2.287 1.00 0.00 N ATOM 66 CA VAL A 5 -16.029 -2.302 -2.309 1.00 0.00 C ATOM 67 C VAL A 5 -15.368 -2.080 -3.665 1.00 0.00 C ATOM 68 O VAL A 5 -14.203 -2.423 -3.864 1.00 0.00 O ATOM 69 CB VAL A 5 -16.132 -3.803 -2.027 1.00 0.00 C ATOM 70 CG1 VAL A 5 -16.382 -4.029 -0.535 1.00 0.00 C ATOM 71 CG2 VAL A 5 -17.290 -4.393 -2.834 1.00 0.00 C ATOM 0 H VAL A 5 -18.012 -2.086 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.421 -1.832 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.201 -4.291 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -16.455 -5.098 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.557 -3.609 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -17.312 -3.541 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -17.365 -5.462 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -18.221 -3.904 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -17.111 -4.234 -3.897 1.00 0.00 H new ATOM 81 N LYS A 6 -16.122 -1.501 -4.595 1.00 0.00 N ATOM 82 CA LYS A 6 -15.604 -1.232 -5.931 1.00 0.00 C ATOM 83 C LYS A 6 -14.579 -2.287 -6.339 1.00 0.00 C ATOM 84 O LYS A 6 -13.373 -2.078 -6.213 1.00 0.00 O ATOM 85 CB LYS A 6 -14.955 0.153 -5.969 1.00 0.00 C ATOM 86 CG LYS A 6 -15.960 1.171 -6.513 1.00 0.00 C ATOM 87 CD LYS A 6 -15.958 1.131 -8.042 1.00 0.00 C ATOM 88 CE LYS A 6 -17.108 1.985 -8.581 1.00 0.00 C ATOM 89 NZ LYS A 6 -17.019 3.356 -8.004 1.00 0.00 N ATOM 0 H LYS A 6 -17.089 -1.211 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.437 -1.265 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.632 0.443 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.065 0.132 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.958 0.949 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.703 2.172 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.007 1.502 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.062 0.103 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.061 2.033 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.065 1.531 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.601 4.008 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.365 3.343 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.029 3.675 -8.018 1.00 0.00 H new ATOM 103 N PRO A 7 -15.043 -3.407 -6.824 1.00 0.00 N ATOM 104 CA PRO A 7 -14.157 -4.524 -7.266 1.00 0.00 C ATOM 105 C PRO A 7 -13.032 -4.033 -8.176 1.00 0.00 C ATOM 106 O PRO A 7 -13.284 -3.439 -9.225 1.00 0.00 O ATOM 107 CB PRO A 7 -15.105 -5.462 -8.016 1.00 0.00 C ATOM 108 CG PRO A 7 -16.461 -5.190 -7.451 1.00 0.00 C ATOM 109 CD PRO A 7 -16.466 -3.729 -7.001 1.00 0.00 C ATOM 0 HA PRO A 7 -13.652 -5.008 -6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.081 -5.270 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.821 -6.505 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.234 -5.367 -8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.671 -5.854 -6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.932 -3.084 -7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.023 -3.599 -6.073 1.00 0.00 H new ATOM 117 N CYS A 8 -11.793 -4.277 -7.761 1.00 0.00 N ATOM 118 CA CYS A 8 -10.635 -3.848 -8.541 1.00 0.00 C ATOM 119 C CYS A 8 -10.213 -4.922 -9.543 1.00 0.00 C ATOM 120 O CYS A 8 -10.960 -5.252 -10.463 1.00 0.00 O ATOM 121 CB CYS A 8 -9.459 -3.547 -7.618 1.00 0.00 C ATOM 122 SG CYS A 8 -7.993 -3.171 -8.620 1.00 0.00 S ATOM 0 H CYS A 8 -11.565 -4.766 -6.895 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.922 -2.948 -9.086 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.697 -2.704 -6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.262 -4.401 -6.970 1.00 0.00 H new ATOM 127 N VAL A 9 -8.993 -5.441 -9.362 1.00 0.00 N ATOM 128 CA VAL A 9 -8.440 -6.458 -10.260 1.00 0.00 C ATOM 129 C VAL A 9 -7.596 -5.760 -11.313 1.00 0.00 C ATOM 130 O VAL A 9 -7.616 -6.111 -12.493 1.00 0.00 O ATOM 131 CB VAL A 9 -9.551 -7.309 -10.917 1.00 0.00 C ATOM 132 CG1 VAL A 9 -9.989 -6.696 -12.252 1.00 0.00 C ATOM 133 CG2 VAL A 9 -9.017 -8.721 -11.168 1.00 0.00 C ATOM 0 H VAL A 9 -8.370 -5.172 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.823 -7.147 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.410 -7.339 -10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.771 -7.312 -12.696 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.372 -5.690 -12.082 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.136 -6.650 -12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.795 -9.327 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.153 -8.671 -11.831 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.722 -9.172 -10.221 1.00 0.00 H new ATOM 143 N VAL A 10 -6.865 -4.752 -10.861 1.00 0.00 N ATOM 144 CA VAL A 10 -6.016 -3.965 -11.734 1.00 0.00 C ATOM 145 C VAL A 10 -4.922 -3.309 -10.914 1.00 0.00 C ATOM 146 O VAL A 10 -3.964 -2.756 -11.451 1.00 0.00 O ATOM 147 CB VAL A 10 -6.841 -2.875 -12.415 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.329 -2.668 -13.839 1.00 0.00 C ATOM 149 CG2 VAL A 10 -8.315 -3.288 -12.467 1.00 0.00 C ATOM 0 H VAL A 10 -6.845 -4.460 -9.884 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.578 -4.618 -12.489 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.746 -1.950 -11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.916 -1.890 -14.327 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.282 -2.367 -13.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.423 -3.599 -14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.895 -2.505 -12.954 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.413 -4.216 -13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.687 -3.438 -11.453 1.00 0.00 H new ATOM 159 N CYS A 11 -5.088 -3.374 -9.603 1.00 0.00 N ATOM 160 CA CYS A 11 -4.127 -2.780 -8.693 1.00 0.00 C ATOM 161 C CYS A 11 -2.735 -3.128 -9.130 1.00 0.00 C ATOM 162 O CYS A 11 -1.777 -2.415 -8.831 1.00 0.00 O ATOM 163 CB CYS A 11 -4.362 -3.273 -7.278 1.00 0.00 C ATOM 164 SG CYS A 11 -4.946 -1.889 -6.275 1.00 0.00 S ATOM 0 H CYS A 11 -5.878 -3.831 -9.148 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.251 -1.697 -8.709 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.096 -4.079 -7.275 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.441 -3.680 -6.861 1.00 0.00 H new ATOM 169 N LYS A 12 -2.633 -4.202 -9.878 1.00 0.00 N ATOM 170 CA LYS A 12 -1.352 -4.600 -10.396 1.00 0.00 C ATOM 171 C LYS A 12 -0.705 -3.364 -10.989 1.00 0.00 C ATOM 172 O LYS A 12 0.490 -3.330 -11.281 1.00 0.00 O ATOM 173 CB LYS A 12 -1.544 -5.670 -11.467 1.00 0.00 C ATOM 174 CG LYS A 12 -2.722 -6.565 -11.073 1.00 0.00 C ATOM 175 CD LYS A 12 -2.688 -7.859 -11.891 1.00 0.00 C ATOM 176 CE LYS A 12 -3.261 -7.605 -13.288 1.00 0.00 C ATOM 177 NZ LYS A 12 -3.705 -8.898 -13.882 1.00 0.00 N ATOM 0 H LYS A 12 -3.413 -4.807 -10.137 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.721 -5.018 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.732 -5.205 -12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.637 -6.266 -11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.675 -6.796 -10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.662 -6.041 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.664 -8.224 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.265 -8.634 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.100 -6.912 -13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.507 -7.140 -13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.095 -8.728 -14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.894 -9.545 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.437 -9.324 -13.278 1.00 0.00 H new ATOM 191 N VAL A 13 -1.538 -2.340 -11.135 1.00 0.00 N ATOM 192 CA VAL A 13 -1.116 -1.061 -11.664 1.00 0.00 C ATOM 193 C VAL A 13 -1.834 0.053 -10.909 1.00 0.00 C ATOM 194 O VAL A 13 -1.803 1.215 -11.315 1.00 0.00 O ATOM 195 CB VAL A 13 -1.460 -0.976 -13.150 1.00 0.00 C ATOM 196 CG1 VAL A 13 -0.657 -2.020 -13.926 1.00 0.00 C ATOM 197 CG2 VAL A 13 -2.954 -1.246 -13.340 1.00 0.00 C ATOM 0 H VAL A 13 -2.527 -2.380 -10.887 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.038 -0.954 -11.542 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.214 0.019 -13.521 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.905 -1.956 -14.985 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.408 -1.834 -13.791 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.901 -3.016 -13.556 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.203 -1.186 -14.400 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.194 -2.241 -12.967 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.531 -0.503 -12.789 1.00 0.00 H new ATOM 207 N ALA A 14 -2.497 -0.316 -9.809 1.00 0.00 N ATOM 208 CA ALA A 14 -3.238 0.666 -9.014 1.00 0.00 C ATOM 209 C ALA A 14 -3.065 0.432 -7.509 1.00 0.00 C ATOM 210 O ALA A 14 -2.877 -0.703 -7.075 1.00 0.00 O ATOM 211 CB ALA A 14 -4.730 0.587 -9.354 1.00 0.00 C ATOM 0 H ALA A 14 -2.536 -1.271 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.839 1.650 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.278 1.319 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.873 0.798 -10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.102 -0.413 -9.130 1.00 0.00 H new ATOM 217 N PRO A 15 -3.159 1.471 -6.702 1.00 0.00 N ATOM 218 CA PRO A 15 -3.060 1.356 -5.224 1.00 0.00 C ATOM 219 C PRO A 15 -4.448 1.219 -4.594 1.00 0.00 C ATOM 220 O PRO A 15 -4.741 0.246 -3.899 1.00 0.00 O ATOM 221 CB PRO A 15 -2.424 2.685 -4.838 1.00 0.00 C ATOM 222 CG PRO A 15 -2.972 3.670 -5.824 1.00 0.00 C ATOM 223 CD PRO A 15 -3.351 2.882 -7.090 1.00 0.00 C ATOM 0 HA PRO A 15 -2.497 0.485 -4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.680 2.964 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.337 2.634 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.843 4.181 -5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.232 4.436 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.381 3.077 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.717 3.154 -7.934 1.00 0.00 H new ATOM 231 N ARG A 16 -5.295 2.209 -4.865 1.00 0.00 N ATOM 232 CA ARG A 16 -6.662 2.226 -4.357 1.00 0.00 C ATOM 233 C ARG A 16 -6.694 2.476 -2.853 1.00 0.00 C ATOM 234 O ARG A 16 -7.147 3.524 -2.396 1.00 0.00 O ATOM 235 CB ARG A 16 -7.350 0.896 -4.659 1.00 0.00 C ATOM 236 CG ARG A 16 -8.858 1.117 -4.806 1.00 0.00 C ATOM 237 CD ARG A 16 -9.186 1.463 -6.261 1.00 0.00 C ATOM 238 NE ARG A 16 -10.244 2.465 -6.315 1.00 0.00 N ATOM 239 CZ ARG A 16 -11.004 2.607 -7.397 1.00 0.00 C ATOM 240 NH1 ARG A 16 -10.813 1.840 -8.436 1.00 0.00 N ATOM 241 NH2 ARG A 16 -11.941 3.514 -7.422 1.00 0.00 N ATOM 0 H ARG A 16 -5.054 3.017 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.189 3.039 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.945 0.466 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.153 0.184 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.399 0.220 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.184 1.922 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.294 1.838 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.498 0.565 -6.794 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.404 3.068 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.080 1.131 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.397 1.950 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.091 4.115 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.524 3.623 -8.252 1.00 0.00 H new ATOM 255 N ASP A 17 -6.232 1.494 -2.090 1.00 0.00 N ATOM 256 CA ASP A 17 -6.236 1.607 -0.633 1.00 0.00 C ATOM 257 C ASP A 17 -4.986 2.318 -0.118 1.00 0.00 C ATOM 258 O ASP A 17 -3.860 1.911 -0.406 1.00 0.00 O ATOM 259 CB ASP A 17 -6.330 0.214 -0.005 1.00 0.00 C ATOM 260 CG ASP A 17 -5.225 -0.682 -0.554 1.00 0.00 C ATOM 261 OD1 ASP A 17 -4.837 -0.482 -1.693 1.00 0.00 O ATOM 262 OD2 ASP A 17 -4.781 -1.553 0.175 1.00 0.00 O ATOM 0 H ASP A 17 -5.853 0.618 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.103 2.203 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.244 0.288 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.305 -0.225 -0.218 1.00 0.00 H new ATOM 267 N TRP A 18 -5.202 3.377 0.661 1.00 0.00 N ATOM 268 CA TRP A 18 -4.102 4.145 1.237 1.00 0.00 C ATOM 269 C TRP A 18 -4.449 4.572 2.657 1.00 0.00 C ATOM 270 O TRP A 18 -5.616 4.564 3.049 1.00 0.00 O ATOM 271 CB TRP A 18 -3.795 5.380 0.390 1.00 0.00 C ATOM 272 CG TRP A 18 -5.043 5.875 -0.267 1.00 0.00 C ATOM 273 CD1 TRP A 18 -6.280 5.848 0.281 1.00 0.00 C ATOM 274 CD2 TRP A 18 -5.193 6.475 -1.585 1.00 0.00 C ATOM 275 NE1 TRP A 18 -7.179 6.393 -0.619 1.00 0.00 N ATOM 276 CE2 TRP A 18 -6.557 6.794 -1.784 1.00 0.00 C ATOM 277 CE3 TRP A 18 -4.285 6.769 -2.618 1.00 0.00 C ATOM 278 CZ2 TRP A 18 -7.004 7.383 -2.966 1.00 0.00 C ATOM 279 CZ3 TRP A 18 -4.731 7.362 -3.809 1.00 0.00 C ATOM 280 CH2 TRP A 18 -6.089 7.669 -3.982 1.00 0.00 C ATOM 0 H TRP A 18 -6.130 3.722 0.907 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.218 3.508 1.255 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.369 6.164 1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.049 5.136 -0.366 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.525 5.464 1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.179 6.487 -0.443 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.238 6.537 -2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -8.051 7.617 -3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.026 7.583 -4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.427 8.126 -4.900 1.00 0.00 H new ATOM 291 N ARG A 19 -3.434 4.938 3.416 1.00 0.00 N ATOM 292 CA ARG A 19 -3.655 5.343 4.796 1.00 0.00 C ATOM 293 C ARG A 19 -2.765 6.523 5.167 1.00 0.00 C ATOM 294 O ARG A 19 -1.900 6.797 4.532 1.00 0.00 O ATOM 295 CB ARG A 19 -3.364 4.166 5.720 1.00 0.00 C ATOM 296 CG ARG A 19 -3.669 4.559 7.165 1.00 0.00 C ATOM 297 CD ARG A 19 -4.320 3.373 7.876 1.00 0.00 C ATOM 298 NE ARG A 19 -3.768 2.124 7.366 1.00 0.00 N ATOM 299 CZ ARG A 19 -2.800 1.480 8.015 1.00 0.00 C ATOM 300 NH1 ARG A 19 -2.319 1.967 9.127 1.00 0.00 N ATOM 301 NH2 ARG A 19 -2.326 0.362 7.536 1.00 0.00 N ATOM 0 H ARG A 19 -2.462 4.964 3.109 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.694 5.653 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.969 3.306 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.320 3.867 5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.752 4.848 7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.333 5.423 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.150 3.444 8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.399 3.393 7.722 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.130 1.736 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.685 2.843 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.578 1.472 9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.697 -0.018 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.584 -0.132 8.033 1.00 0.00 H new ATOM 315 N VAL A 20 -3.143 7.233 6.229 1.00 0.00 N ATOM 316 CA VAL A 20 -2.371 8.385 6.680 1.00 0.00 C ATOM 317 C VAL A 20 -1.666 8.068 7.993 1.00 0.00 C ATOM 318 O VAL A 20 -2.305 7.917 9.035 1.00 0.00 O ATOM 319 CB VAL A 20 -3.289 9.593 6.872 1.00 0.00 C ATOM 320 CG1 VAL A 20 -2.482 10.759 7.442 1.00 0.00 C ATOM 321 CG2 VAL A 20 -3.890 10.001 5.524 1.00 0.00 C ATOM 0 H VAL A 20 -3.972 7.032 6.788 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.624 8.618 5.921 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.091 9.332 7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.135 11.621 7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.055 10.471 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.680 11.018 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.544 10.862 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.089 10.262 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.466 9.170 5.116 1.00 0.00 H new ATOM 331 N LYS A 21 -0.343 7.963 7.933 1.00 0.00 N ATOM 332 CA LYS A 21 0.446 7.658 9.120 1.00 0.00 C ATOM 333 C LYS A 21 1.257 8.874 9.554 1.00 0.00 C ATOM 334 O LYS A 21 2.122 9.350 8.817 1.00 0.00 O ATOM 335 CB LYS A 21 1.390 6.492 8.823 1.00 0.00 C ATOM 336 CG LYS A 21 2.186 6.144 10.081 1.00 0.00 C ATOM 337 CD LYS A 21 1.664 4.831 10.666 1.00 0.00 C ATOM 338 CE LYS A 21 2.044 3.674 9.740 1.00 0.00 C ATOM 339 NZ LYS A 21 0.874 2.767 9.576 1.00 0.00 N ATOM 0 H LYS A 21 0.203 8.084 7.080 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.233 7.385 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.820 5.625 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.069 6.758 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.245 6.052 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.094 6.944 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.085 4.670 11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.581 4.877 10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.359 4.058 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.889 3.124 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.196 1.846 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.406 2.634 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.201 3.186 8.903 1.00 0.00 H new ATOM 353 N ASN A 22 0.973 9.371 10.753 1.00 0.00 N ATOM 354 CA ASN A 22 1.686 10.533 11.273 1.00 0.00 C ATOM 355 C ASN A 22 1.775 11.624 10.211 1.00 0.00 C ATOM 356 O ASN A 22 0.760 12.049 9.659 1.00 0.00 O ATOM 357 CB ASN A 22 3.097 10.129 11.707 1.00 0.00 C ATOM 358 CG ASN A 22 3.033 8.930 12.646 1.00 0.00 C ATOM 359 OD1 ASN A 22 2.023 8.229 12.694 1.00 0.00 O ATOM 360 ND2 ASN A 22 4.061 8.650 13.397 1.00 0.00 N ATOM 0 H ASN A 22 0.261 8.992 11.378 1.00 0.00 H new ATOM 0 HA ASN A 22 1.137 10.918 12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.699 9.884 10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.586 10.966 12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.029 7.848 14.026 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.897 9.233 13.355 1.00 0.00 H new ATOM 367 N ARG A 23 2.995 12.069 9.930 1.00 0.00 N ATOM 368 CA ARG A 23 3.204 13.108 8.929 1.00 0.00 C ATOM 369 C ARG A 23 3.422 12.484 7.554 1.00 0.00 C ATOM 370 O ARG A 23 3.616 13.189 6.564 1.00 0.00 O ATOM 371 CB ARG A 23 4.418 13.963 9.304 1.00 0.00 C ATOM 372 CG ARG A 23 4.332 15.311 8.587 1.00 0.00 C ATOM 373 CD ARG A 23 3.769 16.364 9.545 1.00 0.00 C ATOM 374 NE ARG A 23 3.410 17.573 8.812 1.00 0.00 N ATOM 375 CZ ARG A 23 3.226 18.730 9.442 1.00 0.00 C ATOM 376 NH1 ARG A 23 3.352 18.793 10.740 1.00 0.00 N ATOM 377 NH2 ARG A 23 2.918 19.801 8.765 1.00 0.00 N ATOM 0 H ARG A 23 3.847 11.730 10.377 1.00 0.00 H new ATOM 0 HA ARG A 23 2.316 13.739 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.451 14.114 10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.338 13.449 9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.319 15.613 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.694 15.227 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.893 15.968 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.507 16.601 10.311 1.00 0.00 H new ATOM 0 HE ARG A 23 3.298 17.530 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.591 17.955 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.211 19.680 11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.818 19.752 7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.777 20.688 9.249 1.00 0.00 H new ATOM 391 N HIS A 24 3.391 11.156 7.505 1.00 0.00 N ATOM 392 CA HIS A 24 3.587 10.440 6.254 1.00 0.00 C ATOM 393 C HIS A 24 2.294 9.768 5.814 1.00 0.00 C ATOM 394 O HIS A 24 1.422 9.476 6.632 1.00 0.00 O ATOM 395 CB HIS A 24 4.664 9.362 6.419 1.00 0.00 C ATOM 396 CG HIS A 24 5.742 9.834 7.359 1.00 0.00 C ATOM 397 ND1 HIS A 24 5.491 10.710 8.407 1.00 0.00 N ATOM 398 CD2 HIS A 24 7.081 9.544 7.429 1.00 0.00 C ATOM 399 CE1 HIS A 24 6.653 10.912 9.054 1.00 0.00 C ATOM 400 NE2 HIS A 24 7.654 10.224 8.499 1.00 0.00 N ATOM 0 H HIS A 24 3.232 10.557 8.316 1.00 0.00 H new ATOM 0 HA HIS A 24 3.899 11.164 5.501 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.214 8.446 6.802 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.099 9.122 5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.611 8.887 6.755 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.763 11.552 9.917 1.00 0.00 H new ATOM 0 HE2 HIS A 24 8.630 10.202 8.796 1.00 0.00 H new ATOM 409 N LEU A 25 2.194 9.498 4.521 1.00 0.00 N ATOM 410 CA LEU A 25 1.025 8.825 3.978 1.00 0.00 C ATOM 411 C LEU A 25 1.424 7.426 3.557 1.00 0.00 C ATOM 412 O LEU A 25 2.497 7.230 2.996 1.00 0.00 O ATOM 413 CB LEU A 25 0.485 9.579 2.767 1.00 0.00 C ATOM 414 CG LEU A 25 -0.610 10.547 3.218 1.00 0.00 C ATOM 415 CD1 LEU A 25 0.017 11.676 4.037 1.00 0.00 C ATOM 416 CD2 LEU A 25 -1.314 11.133 1.991 1.00 0.00 C ATOM 0 H LEU A 25 2.907 9.734 3.830 1.00 0.00 H new ATOM 0 HA LEU A 25 0.247 8.789 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.290 10.126 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.086 8.876 2.036 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.337 10.014 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.762 12.367 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.516 11.258 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.744 12.209 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.094 11.823 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.589 11.667 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.760 10.327 1.408 1.00 0.00 H new ATOM 428 N ARG A 26 0.574 6.458 3.829 1.00 0.00 N ATOM 429 CA ARG A 26 0.897 5.092 3.465 1.00 0.00 C ATOM 430 C ARG A 26 0.021 4.616 2.316 1.00 0.00 C ATOM 431 O ARG A 26 -1.072 4.596 2.341 1.00 0.00 O ATOM 432 CB ARG A 26 0.706 4.171 4.667 1.00 0.00 C ATOM 433 CG ARG A 26 1.604 2.939 4.525 1.00 0.00 C ATOM 434 CD ARG A 26 2.746 3.011 5.544 1.00 0.00 C ATOM 435 NE ARG A 26 2.321 2.443 6.818 1.00 0.00 N ATOM 436 CZ ARG A 26 3.150 1.712 7.560 1.00 0.00 C ATOM 437 NH1 ARG A 26 4.373 1.496 7.157 1.00 0.00 N ATOM 438 NH2 ARG A 26 2.743 1.216 8.696 1.00 0.00 N ATOM 0 H ARG A 26 -0.327 6.585 4.290 1.00 0.00 H new ATOM 0 HA ARG A 26 1.939 5.063 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.947 4.704 5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.338 3.865 4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.020 2.032 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.009 2.887 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.614 2.469 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.053 4.047 5.684 1.00 0.00 H new ATOM 0 HE ARG A 26 1.370 2.609 7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.695 1.888 6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.006 0.936 7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.790 1.388 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.378 0.656 9.265 1.00 0.00 H new ATOM 452 N ILE A 27 0.667 4.174 1.255 1.00 0.00 N ATOM 453 CA ILE A 27 -0.055 3.678 0.096 1.00 0.00 C ATOM 454 C ILE A 27 0.141 2.172 -0.030 1.00 0.00 C ATOM 455 O ILE A 27 1.161 1.628 0.393 1.00 0.00 O ATOM 456 CB ILE A 27 0.433 4.379 -1.177 1.00 0.00 C ATOM 457 CG1 ILE A 27 -0.419 5.625 -1.431 1.00 0.00 C ATOM 458 CG2 ILE A 27 0.303 3.434 -2.374 1.00 0.00 C ATOM 459 CD1 ILE A 27 0.436 6.700 -2.106 1.00 0.00 C ATOM 0 H ILE A 27 1.683 4.147 1.169 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.116 3.891 0.226 1.00 0.00 H new ATOM 0 HB ILE A 27 1.478 4.663 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.271 5.373 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.820 6.002 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.651 3.938 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.906 2.543 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.741 3.147 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.171 7.587 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.273 6.959 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.815 6.320 -3.055 1.00 0.00 H new ATOM 471 N TYR A 28 -0.842 1.508 -0.615 1.00 0.00 N ATOM 472 CA TYR A 28 -0.781 0.064 -0.800 1.00 0.00 C ATOM 473 C TYR A 28 -0.803 -0.271 -2.287 1.00 0.00 C ATOM 474 O TYR A 28 -1.198 0.556 -3.109 1.00 0.00 O ATOM 475 CB TYR A 28 -1.966 -0.601 -0.104 1.00 0.00 C ATOM 476 CG TYR A 28 -1.767 -0.538 1.390 1.00 0.00 C ATOM 477 CD1 TYR A 28 -0.715 -1.244 1.983 1.00 0.00 C ATOM 478 CD2 TYR A 28 -2.631 0.226 2.182 1.00 0.00 C ATOM 479 CE1 TYR A 28 -0.525 -1.185 3.370 1.00 0.00 C ATOM 480 CE2 TYR A 28 -2.441 0.286 3.568 1.00 0.00 C ATOM 481 CZ TYR A 28 -1.388 -0.419 4.163 1.00 0.00 C ATOM 482 OH TYR A 28 -1.199 -0.359 5.529 1.00 0.00 O ATOM 0 H TYR A 28 -1.693 1.944 -0.971 1.00 0.00 H new ATOM 0 HA TYR A 28 0.145 -0.309 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.893 -0.099 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.057 -1.638 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.049 -1.835 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.444 0.769 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.287 -1.730 3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.108 0.877 4.179 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.246 -0.465 5.732 1.00 0.00 H new ATOM 492 N ASN A 29 -0.365 -1.476 -2.631 1.00 0.00 N ATOM 493 CA ASN A 29 -0.334 -1.885 -4.031 1.00 0.00 C ATOM 494 C ASN A 29 -1.625 -2.593 -4.432 1.00 0.00 C ATOM 495 O ASN A 29 -1.923 -2.720 -5.617 1.00 0.00 O ATOM 496 CB ASN A 29 0.856 -2.815 -4.276 1.00 0.00 C ATOM 497 CG ASN A 29 2.034 -2.020 -4.827 1.00 0.00 C ATOM 498 OD1 ASN A 29 1.969 -1.506 -5.944 1.00 0.00 O ATOM 499 ND2 ASN A 29 3.111 -1.888 -4.105 1.00 0.00 N ATOM 0 H ASN A 29 -0.031 -2.178 -1.971 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.232 -0.987 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.142 -3.306 -3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.576 -3.600 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.904 -1.357 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.161 -2.315 -3.180 1.00 0.00 H new ATOM 506 N MET A 30 -2.385 -3.061 -3.444 1.00 0.00 N ATOM 507 CA MET A 30 -3.642 -3.767 -3.725 1.00 0.00 C ATOM 508 C MET A 30 -4.767 -3.277 -2.812 1.00 0.00 C ATOM 509 O MET A 30 -4.572 -3.116 -1.613 1.00 0.00 O ATOM 510 CB MET A 30 -3.449 -5.270 -3.502 1.00 0.00 C ATOM 511 CG MET A 30 -2.932 -5.926 -4.787 1.00 0.00 C ATOM 512 SD MET A 30 -1.336 -5.208 -5.256 1.00 0.00 S ATOM 513 CE MET A 30 -0.500 -5.410 -3.664 1.00 0.00 C ATOM 0 H MET A 30 -2.160 -2.968 -2.453 1.00 0.00 H new ATOM 0 HA MET A 30 -3.915 -3.567 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.743 -5.438 -2.688 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.393 -5.727 -3.205 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.826 -7.001 -4.638 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.653 -5.785 -5.592 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.576 -5.474 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.722 -4.555 -3.025 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.850 -6.323 -3.182 1.00 0.00 H new ATOM 523 N CYS A 31 -5.954 -3.062 -3.379 1.00 0.00 N ATOM 524 CA CYS A 31 -7.091 -2.622 -2.576 1.00 0.00 C ATOM 525 C CYS A 31 -7.392 -3.678 -1.527 1.00 0.00 C ATOM 526 O CYS A 31 -6.775 -4.741 -1.516 1.00 0.00 O ATOM 527 CB CYS A 31 -8.348 -2.439 -3.436 1.00 0.00 C ATOM 528 SG CYS A 31 -7.928 -1.770 -5.059 1.00 0.00 S ATOM 0 H CYS A 31 -6.150 -3.183 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.831 -1.667 -2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.855 -3.397 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.044 -1.769 -2.931 1.00 0.00 H new ATOM 533 N LYS A 32 -8.357 -3.400 -0.661 1.00 0.00 N ATOM 534 CA LYS A 32 -8.731 -4.367 0.359 1.00 0.00 C ATOM 535 C LYS A 32 -9.128 -5.676 -0.313 1.00 0.00 C ATOM 536 O LYS A 32 -8.862 -6.762 0.203 1.00 0.00 O ATOM 537 CB LYS A 32 -9.901 -3.830 1.188 1.00 0.00 C ATOM 538 CG LYS A 32 -9.581 -3.958 2.682 1.00 0.00 C ATOM 539 CD LYS A 32 -10.516 -3.052 3.486 1.00 0.00 C ATOM 540 CE LYS A 32 -10.163 -3.148 4.972 1.00 0.00 C ATOM 541 NZ LYS A 32 -8.693 -2.970 5.146 1.00 0.00 N ATOM 0 H LYS A 32 -8.886 -2.528 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.884 -4.540 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.089 -2.787 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.810 -4.384 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.698 -4.993 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.543 -3.682 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.423 -2.021 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.553 -3.348 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.702 -2.385 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.473 -4.115 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.500 -2.584 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.217 -3.889 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.335 -2.312 4.424 1.00 0.00 H new ATOM 555 N THR A 33 -9.756 -5.553 -1.478 1.00 0.00 N ATOM 556 CA THR A 33 -10.186 -6.717 -2.243 1.00 0.00 C ATOM 557 C THR A 33 -8.981 -7.511 -2.739 1.00 0.00 C ATOM 558 O THR A 33 -8.720 -8.619 -2.268 1.00 0.00 O ATOM 559 CB THR A 33 -11.034 -6.270 -3.438 1.00 0.00 C ATOM 560 OG1 THR A 33 -11.674 -5.040 -3.131 1.00 0.00 O ATOM 561 CG2 THR A 33 -12.088 -7.333 -3.741 1.00 0.00 C ATOM 0 H THR A 33 -9.978 -4.658 -1.913 1.00 0.00 H new ATOM 0 HA THR A 33 -10.782 -7.357 -1.592 1.00 0.00 H new ATOM 0 HB THR A 33 -10.393 -6.137 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.215 -4.753 -3.896 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.691 -7.015 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.596 -8.276 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.730 -7.467 -2.870 1.00 0.00 H new ATOM 569 N CYS A 34 -8.249 -6.938 -3.693 1.00 0.00 N ATOM 570 CA CYS A 34 -7.075 -7.606 -4.243 1.00 0.00 C ATOM 571 C CYS A 34 -6.035 -7.848 -3.154 1.00 0.00 C ATOM 572 O CYS A 34 -5.245 -8.790 -3.235 1.00 0.00 O ATOM 573 CB CYS A 34 -6.464 -6.773 -5.364 1.00 0.00 C ATOM 574 SG CYS A 34 -6.611 -5.024 -4.954 1.00 0.00 S ATOM 0 H CYS A 34 -8.447 -6.022 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.391 -8.568 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.416 -7.039 -5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.972 -6.982 -6.306 1.00 0.00 H new ATOM 579 N PHE A 35 -6.043 -6.997 -2.133 1.00 0.00 N ATOM 580 CA PHE A 35 -5.096 -7.134 -1.030 1.00 0.00 C ATOM 581 C PHE A 35 -5.184 -8.536 -0.456 1.00 0.00 C ATOM 582 O PHE A 35 -4.176 -9.222 -0.282 1.00 0.00 O ATOM 583 CB PHE A 35 -5.410 -6.116 0.069 1.00 0.00 C ATOM 584 CG PHE A 35 -4.748 -6.549 1.355 1.00 0.00 C ATOM 585 CD1 PHE A 35 -3.386 -6.871 1.366 1.00 0.00 C ATOM 586 CD2 PHE A 35 -5.497 -6.631 2.534 1.00 0.00 C ATOM 587 CE1 PHE A 35 -2.772 -7.275 2.558 1.00 0.00 C ATOM 588 CE2 PHE A 35 -4.884 -7.036 3.726 1.00 0.00 C ATOM 589 CZ PHE A 35 -3.521 -7.357 3.738 1.00 0.00 C ATOM 0 H PHE A 35 -6.688 -6.212 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.089 -6.952 -1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.053 -5.128 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.488 -6.037 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.809 -6.808 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.548 -6.382 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.721 -7.523 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.462 -7.101 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.048 -7.668 4.658 1.00 0.00 H new ATOM 599 N ASN A 36 -6.408 -8.957 -0.181 1.00 0.00 N ATOM 600 CA ASN A 36 -6.654 -10.282 0.351 1.00 0.00 C ATOM 601 C ASN A 36 -6.297 -11.316 -0.700 1.00 0.00 C ATOM 602 O ASN A 36 -5.733 -12.369 -0.400 1.00 0.00 O ATOM 603 CB ASN A 36 -8.127 -10.416 0.727 1.00 0.00 C ATOM 604 CG ASN A 36 -8.431 -9.559 1.952 1.00 0.00 C ATOM 605 OD1 ASN A 36 -8.908 -10.070 2.966 1.00 0.00 O ATOM 606 ND2 ASN A 36 -8.184 -8.276 1.918 1.00 0.00 N ATOM 0 H ASN A 36 -7.248 -8.395 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.043 -10.440 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.754 -10.106 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.365 -11.459 0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.386 -7.696 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.789 -7.855 1.077 1.00 0.00 H new ATOM 613 N ASN A 37 -6.628 -10.988 -1.940 1.00 0.00 N ATOM 614 CA ASN A 37 -6.343 -11.871 -3.061 1.00 0.00 C ATOM 615 C ASN A 37 -4.842 -11.999 -3.248 1.00 0.00 C ATOM 616 O ASN A 37 -4.333 -13.068 -3.581 1.00 0.00 O ATOM 617 CB ASN A 37 -6.977 -11.318 -4.335 1.00 0.00 C ATOM 618 CG ASN A 37 -7.555 -12.456 -5.168 1.00 0.00 C ATOM 619 OD1 ASN A 37 -6.939 -13.515 -5.288 1.00 0.00 O ATOM 620 ND2 ASN A 37 -8.711 -12.300 -5.752 1.00 0.00 N ATOM 0 H ASN A 37 -7.094 -10.117 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.763 -12.855 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.763 -10.607 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.232 -10.774 -4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.107 -13.057 -6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.219 -11.421 -5.651 1.00 0.00 H new ATOM 627 N SER A 38 -4.138 -10.901 -3.008 1.00 0.00 N ATOM 628 CA SER A 38 -2.688 -10.905 -3.130 1.00 0.00 C ATOM 629 C SER A 38 -2.135 -11.972 -2.214 1.00 0.00 C ATOM 630 O SER A 38 -1.104 -12.584 -2.495 1.00 0.00 O ATOM 631 CB SER A 38 -2.114 -9.543 -2.756 1.00 0.00 C ATOM 632 OG SER A 38 -3.132 -8.753 -2.165 1.00 0.00 O ATOM 0 H SER A 38 -4.542 -10.006 -2.731 1.00 0.00 H new ATOM 0 HA SER A 38 -2.408 -11.115 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.282 -9.664 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.720 -9.046 -3.642 1.00 0.00 H new ATOM 0 HG SER A 38 -3.126 -8.885 -1.194 1.00 0.00 H new ATOM 638 N ILE A 39 -2.861 -12.224 -1.134 1.00 0.00 N ATOM 639 CA ILE A 39 -2.462 -13.263 -0.207 1.00 0.00 C ATOM 640 C ILE A 39 -2.572 -14.580 -0.945 1.00 0.00 C ATOM 641 O ILE A 39 -1.829 -15.526 -0.695 1.00 0.00 O ATOM 642 CB ILE A 39 -3.370 -13.265 1.023 1.00 0.00 C ATOM 643 CG1 ILE A 39 -3.607 -11.824 1.487 1.00 0.00 C ATOM 644 CG2 ILE A 39 -2.709 -14.063 2.149 1.00 0.00 C ATOM 645 CD1 ILE A 39 -2.337 -11.278 2.144 1.00 0.00 C ATOM 0 H ILE A 39 -3.717 -11.729 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.443 -13.096 0.142 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.324 -13.725 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.886 -11.200 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.436 -11.791 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.358 -14.063 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.544 -15.089 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.753 -13.606 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.509 -10.253 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.077 -11.896 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.519 -11.296 1.424 1.00 0.00 H new ATOM 657 N LYS A 40 -3.504 -14.600 -1.889 1.00 0.00 N ATOM 658 CA LYS A 40 -3.723 -15.769 -2.723 1.00 0.00 C ATOM 659 C LYS A 40 -2.669 -15.812 -3.817 1.00 0.00 C ATOM 660 O LYS A 40 -1.836 -16.717 -3.877 1.00 0.00 O ATOM 661 CB LYS A 40 -5.113 -15.702 -3.362 1.00 0.00 C ATOM 662 CG LYS A 40 -5.938 -16.920 -2.939 1.00 0.00 C ATOM 663 CD LYS A 40 -5.362 -18.177 -3.595 1.00 0.00 C ATOM 664 CE LYS A 40 -5.541 -19.375 -2.661 1.00 0.00 C ATOM 665 NZ LYS A 40 -4.701 -20.510 -3.140 1.00 0.00 N ATOM 0 H LYS A 40 -4.122 -13.815 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.654 -16.666 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.619 -14.786 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.023 -15.672 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.924 -17.024 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.979 -16.788 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.863 -18.366 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.305 -18.031 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.257 -19.103 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.589 -19.672 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.823 -21.324 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.992 -20.775 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.701 -20.223 -3.147 1.00 0.00 H new ATOM 679 N SER A 41 -2.731 -14.806 -4.680 1.00 0.00 N ATOM 680 CA SER A 41 -1.805 -14.683 -5.793 1.00 0.00 C ATOM 681 C SER A 41 -0.392 -14.412 -5.296 1.00 0.00 C ATOM 682 O SER A 41 0.553 -15.105 -5.671 1.00 0.00 O ATOM 683 CB SER A 41 -2.245 -13.540 -6.703 1.00 0.00 C ATOM 684 OG SER A 41 -3.530 -13.832 -7.236 1.00 0.00 O ATOM 0 H SER A 41 -3.422 -14.057 -4.627 1.00 0.00 H new ATOM 0 HA SER A 41 -1.808 -15.622 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.275 -12.605 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.526 -13.405 -7.511 1.00 0.00 H new ATOM 0 HG SER A 41 -3.816 -13.099 -7.820 1.00 0.00 H new ATOM 690 N GLY A 42 -0.261 -13.395 -4.453 1.00 0.00 N ATOM 691 CA GLY A 42 1.041 -13.031 -3.912 1.00 0.00 C ATOM 692 C GLY A 42 1.576 -14.147 -3.036 1.00 0.00 C ATOM 693 O GLY A 42 2.720 -14.576 -3.185 1.00 0.00 O ATOM 0 H GLY A 42 -1.034 -12.812 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.738 -12.832 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.958 -12.112 -3.332 1.00 0.00 H new ATOM 697 N ASP A 43 0.729 -14.621 -2.134 1.00 0.00 N ATOM 698 CA ASP A 43 1.108 -15.705 -1.234 1.00 0.00 C ATOM 699 C ASP A 43 2.362 -15.353 -0.441 1.00 0.00 C ATOM 700 O ASP A 43 2.328 -15.281 0.788 1.00 0.00 O ATOM 701 CB ASP A 43 1.362 -16.972 -2.044 1.00 0.00 C ATOM 702 CG ASP A 43 1.686 -18.135 -1.112 1.00 0.00 C ATOM 703 OD1 ASP A 43 0.808 -18.531 -0.363 1.00 0.00 O ATOM 704 OD2 ASP A 43 2.808 -18.612 -1.161 1.00 0.00 O ATOM 0 H ASP A 43 -0.222 -14.275 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 43 0.291 -15.865 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.484 -17.211 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.188 -16.810 -2.737 1.00 0.00 H new ATOM 709 N ASP A 44 3.461 -15.145 -1.157 1.00 0.00 N ATOM 710 CA ASP A 44 4.738 -14.807 -0.532 1.00 0.00 C ATOM 711 C ASP A 44 4.535 -14.293 0.888 1.00 0.00 C ATOM 712 O ASP A 44 4.830 -14.990 1.859 1.00 0.00 O ATOM 713 CB ASP A 44 5.457 -13.742 -1.360 1.00 0.00 C ATOM 714 CG ASP A 44 6.966 -13.928 -1.245 1.00 0.00 C ATOM 715 OD1 ASP A 44 7.539 -13.393 -0.310 1.00 0.00 O ATOM 716 OD2 ASP A 44 7.524 -14.606 -2.091 1.00 0.00 O ATOM 0 H ASP A 44 3.495 -15.204 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 44 5.343 -15.712 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.151 -13.813 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.177 -12.748 -1.012 1.00 0.00 H new ATOM 721 N THR A 45 4.033 -13.070 0.999 1.00 0.00 N ATOM 722 CA THR A 45 3.797 -12.470 2.305 1.00 0.00 C ATOM 723 C THR A 45 2.491 -11.686 2.292 1.00 0.00 C ATOM 724 O THR A 45 1.448 -12.187 2.712 1.00 0.00 O ATOM 725 CB THR A 45 4.956 -11.536 2.661 1.00 0.00 C ATOM 726 OG1 THR A 45 5.317 -10.776 1.517 1.00 0.00 O ATOM 727 CG2 THR A 45 6.155 -12.365 3.126 1.00 0.00 C ATOM 0 H THR A 45 3.783 -12.478 0.207 1.00 0.00 H new ATOM 0 HA THR A 45 3.728 -13.261 3.051 1.00 0.00 H new ATOM 0 HB THR A 45 4.650 -10.863 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.058 -10.176 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.981 -11.700 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.876 -12.948 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.464 -13.038 2.326 1.00 0.00 H new ATOM 735 N TYR A 46 2.557 -10.459 1.794 1.00 0.00 N ATOM 736 CA TYR A 46 1.377 -9.610 1.711 1.00 0.00 C ATOM 737 C TYR A 46 1.508 -8.660 0.528 1.00 0.00 C ATOM 738 O TYR A 46 0.509 -8.290 -0.087 1.00 0.00 O ATOM 739 CB TYR A 46 1.208 -8.808 3.005 1.00 0.00 C ATOM 740 CG TYR A 46 2.171 -9.314 4.053 1.00 0.00 C ATOM 741 CD1 TYR A 46 1.806 -10.383 4.881 1.00 0.00 C ATOM 742 CD2 TYR A 46 3.426 -8.710 4.201 1.00 0.00 C ATOM 743 CE1 TYR A 46 2.695 -10.848 5.857 1.00 0.00 C ATOM 744 CE2 TYR A 46 4.315 -9.176 5.177 1.00 0.00 C ATOM 745 CZ TYR A 46 3.951 -10.245 6.004 1.00 0.00 C ATOM 746 OH TYR A 46 4.828 -10.704 6.965 1.00 0.00 O ATOM 0 H TYR A 46 3.413 -10.030 1.442 1.00 0.00 H new ATOM 0 HA TYR A 46 0.499 -10.240 1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.388 -7.750 2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.184 -8.897 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.838 -10.849 4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.708 -7.886 3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.413 -11.671 6.496 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.283 -8.710 5.292 1.00 0.00 H new ATOM 0 HH TYR A 46 5.654 -10.177 6.933 1.00 0.00 H new ATOM 756 N HIS A 47 2.761 -8.299 0.224 1.00 0.00 N ATOM 757 CA HIS A 47 3.113 -7.400 -0.890 1.00 0.00 C ATOM 758 C HIS A 47 3.977 -6.242 -0.392 1.00 0.00 C ATOM 759 O HIS A 47 4.899 -6.449 0.397 1.00 0.00 O ATOM 760 CB HIS A 47 1.883 -6.871 -1.640 1.00 0.00 C ATOM 761 CG HIS A 47 1.402 -7.909 -2.625 1.00 0.00 C ATOM 762 ND1 HIS A 47 1.236 -7.615 -3.972 1.00 0.00 N ATOM 763 CD2 HIS A 47 1.055 -9.233 -2.489 1.00 0.00 C ATOM 764 CE1 HIS A 47 0.806 -8.733 -4.583 1.00 0.00 C ATOM 765 NE2 HIS A 47 0.678 -9.747 -3.726 1.00 0.00 N ATOM 0 H HIS A 47 3.572 -8.626 0.750 1.00 0.00 H new ATOM 0 HA HIS A 47 3.685 -7.993 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.089 -6.632 -0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.133 -5.948 -2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.072 -9.789 -1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.591 -8.802 -5.639 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.369 -10.697 -3.933 1.00 0.00 H new ATOM 774 N GLY A 48 3.704 -5.031 -0.868 1.00 0.00 N ATOM 775 CA GLY A 48 4.496 -3.877 -0.471 1.00 0.00 C ATOM 776 C GLY A 48 3.652 -2.614 -0.435 1.00 0.00 C ATOM 777 O GLY A 48 2.580 -2.550 -1.036 1.00 0.00 O ATOM 0 H GLY A 48 2.948 -4.826 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.932 -4.054 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.324 -3.744 -1.168 1.00 0.00 H new ATOM 781 N HIS A 49 4.149 -1.608 0.269 1.00 0.00 N ATOM 782 CA HIS A 49 3.434 -0.345 0.379 1.00 0.00 C ATOM 783 C HIS A 49 4.385 0.833 0.186 1.00 0.00 C ATOM 784 O HIS A 49 5.599 0.698 0.336 1.00 0.00 O ATOM 785 CB HIS A 49 2.752 -0.243 1.746 1.00 0.00 C ATOM 786 CG HIS A 49 3.692 -0.716 2.823 1.00 0.00 C ATOM 787 ND1 HIS A 49 4.665 -1.678 2.595 1.00 0.00 N ATOM 788 CD2 HIS A 49 3.826 -0.356 4.141 1.00 0.00 C ATOM 789 CE1 HIS A 49 5.335 -1.858 3.747 1.00 0.00 C ATOM 790 NE2 HIS A 49 4.865 -1.077 4.721 1.00 0.00 N ATOM 0 H HIS A 49 5.037 -1.640 0.769 1.00 0.00 H new ATOM 0 HA HIS A 49 2.676 -0.312 -0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.454 0.788 1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.843 -0.844 1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.217 0.376 4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.154 -2.551 3.869 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.196 -1.021 5.684 1.00 0.00 H new ATOM 799 N VAL A 50 3.817 1.984 -0.154 1.00 0.00 N ATOM 800 CA VAL A 50 4.608 3.188 -0.380 1.00 0.00 C ATOM 801 C VAL A 50 4.333 4.228 0.706 1.00 0.00 C ATOM 802 O VAL A 50 3.190 4.410 1.130 1.00 0.00 O ATOM 803 CB VAL A 50 4.263 3.764 -1.759 1.00 0.00 C ATOM 804 CG1 VAL A 50 4.277 5.294 -1.716 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.286 3.274 -2.785 1.00 0.00 C ATOM 0 H VAL A 50 2.812 2.109 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 50 5.667 2.931 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 50 3.265 3.429 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.030 5.688 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.542 5.644 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.268 5.641 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.042 3.683 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.282 3.605 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.264 2.185 -2.830 1.00 0.00 H new ATOM 815 N ASP A 51 5.384 4.916 1.147 1.00 0.00 N ATOM 816 CA ASP A 51 5.234 5.943 2.174 1.00 0.00 C ATOM 817 C ASP A 51 5.751 7.288 1.670 1.00 0.00 C ATOM 818 O ASP A 51 6.832 7.370 1.087 1.00 0.00 O ATOM 819 CB ASP A 51 5.994 5.550 3.443 1.00 0.00 C ATOM 820 CG ASP A 51 5.649 4.119 3.839 1.00 0.00 C ATOM 821 OD1 ASP A 51 5.781 3.244 2.999 1.00 0.00 O ATOM 822 OD2 ASP A 51 5.259 3.919 4.977 1.00 0.00 O ATOM 0 H ASP A 51 6.339 4.783 0.813 1.00 0.00 H new ATOM 0 HA ASP A 51 4.173 6.032 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.067 5.641 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.739 6.232 4.255 1.00 0.00 H new ATOM 827 N TRP A 52 4.973 8.340 1.906 1.00 0.00 N ATOM 828 CA TRP A 52 5.362 9.681 1.480 1.00 0.00 C ATOM 829 C TRP A 52 5.708 10.538 2.694 1.00 0.00 C ATOM 830 O TRP A 52 5.026 10.478 3.714 1.00 0.00 O ATOM 831 CB TRP A 52 4.214 10.341 0.713 1.00 0.00 C ATOM 832 CG TRP A 52 4.140 9.776 -0.668 1.00 0.00 C ATOM 833 CD1 TRP A 52 3.659 8.551 -0.983 1.00 0.00 C ATOM 834 CD2 TRP A 52 4.545 10.393 -1.924 1.00 0.00 C ATOM 835 NE1 TRP A 52 3.743 8.377 -2.352 1.00 0.00 N ATOM 836 CE2 TRP A 52 4.284 9.484 -2.977 1.00 0.00 C ATOM 837 CE3 TRP A 52 5.111 11.639 -2.249 1.00 0.00 C ATOM 838 CZ2 TRP A 52 4.571 9.801 -4.304 1.00 0.00 C ATOM 839 CZ3 TRP A 52 5.401 11.963 -3.586 1.00 0.00 C ATOM 840 CH2 TRP A 52 5.132 11.044 -4.610 1.00 0.00 C ATOM 0 H TRP A 52 4.075 8.291 2.387 1.00 0.00 H new ATOM 0 HA TRP A 52 6.235 9.599 0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 52 3.272 10.174 1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.367 11.419 0.667 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.273 7.828 -0.280 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.442 7.534 -2.841 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.324 12.352 -1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.361 9.091 -5.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.833 12.924 -3.825 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.358 11.297 -5.635 1.00 0.00 H new ATOM 851 N LEU A 53 6.767 11.336 2.584 1.00 0.00 N ATOM 852 CA LEU A 53 7.166 12.187 3.700 1.00 0.00 C ATOM 853 C LEU A 53 6.892 13.657 3.393 1.00 0.00 C ATOM 854 O LEU A 53 7.805 14.425 3.091 1.00 0.00 O ATOM 855 CB LEU A 53 8.653 11.988 3.996 1.00 0.00 C ATOM 856 CG LEU A 53 8.856 11.791 5.500 1.00 0.00 C ATOM 857 CD1 LEU A 53 10.276 11.287 5.765 1.00 0.00 C ATOM 858 CD2 LEU A 53 8.644 13.123 6.224 1.00 0.00 C ATOM 0 H LEU A 53 7.353 11.411 1.752 1.00 0.00 H new ATOM 0 HA LEU A 53 6.578 11.905 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.030 11.122 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.221 12.852 3.652 1.00 0.00 H new ATOM 0 HG LEU A 53 8.137 11.059 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.418 11.147 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.427 10.337 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.996 12.017 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.789 12.982 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.361 13.856 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.631 13.481 6.039 1.00 0.00 H new ATOM 870 N MET A 54 5.622 14.031 3.505 1.00 0.00 N ATOM 871 CA MET A 54 5.178 15.401 3.269 1.00 0.00 C ATOM 872 C MET A 54 5.918 16.060 2.103 1.00 0.00 C ATOM 873 O MET A 54 5.750 17.255 1.862 1.00 0.00 O ATOM 874 CB MET A 54 5.373 16.228 4.545 1.00 0.00 C ATOM 875 CG MET A 54 6.694 17.000 4.478 1.00 0.00 C ATOM 876 SD MET A 54 7.152 17.553 6.140 1.00 0.00 S ATOM 877 CE MET A 54 5.759 18.679 6.393 1.00 0.00 C ATOM 0 H MET A 54 4.870 13.392 3.762 1.00 0.00 H new ATOM 0 HA MET A 54 4.122 15.365 3.001 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.543 16.924 4.667 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.370 15.573 5.416 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.478 16.366 4.065 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.594 17.857 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.945 19.297 7.272 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.644 19.318 5.518 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.847 18.101 6.543 1.00 0.00 H new ATOM 887 N TYR A 55 6.729 15.288 1.381 1.00 0.00 N ATOM 888 CA TYR A 55 7.472 15.840 0.255 1.00 0.00 C ATOM 889 C TYR A 55 8.370 14.784 -0.390 1.00 0.00 C ATOM 890 O TYR A 55 8.761 14.916 -1.551 1.00 0.00 O ATOM 891 CB TYR A 55 8.313 17.036 0.726 1.00 0.00 C ATOM 892 CG TYR A 55 9.749 16.618 0.965 1.00 0.00 C ATOM 893 CD1 TYR A 55 10.128 16.100 2.211 1.00 0.00 C ATOM 894 CD2 TYR A 55 10.699 16.762 -0.053 1.00 0.00 C ATOM 895 CE1 TYR A 55 11.457 15.724 2.436 1.00 0.00 C ATOM 896 CE2 TYR A 55 12.029 16.386 0.173 1.00 0.00 C ATOM 897 CZ TYR A 55 12.408 15.867 1.418 1.00 0.00 C ATOM 898 OH TYR A 55 13.719 15.497 1.640 1.00 0.00 O ATOM 0 H TYR A 55 6.885 14.295 1.553 1.00 0.00 H new ATOM 0 HA TYR A 55 6.757 16.173 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.279 17.828 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 55 7.890 17.446 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.395 15.991 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.406 17.163 -1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 55 11.749 15.323 3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 55 12.762 16.496 -0.612 1.00 0.00 H new ATOM 0 HH TYR A 55 14.247 15.661 0.831 1.00 0.00 H new ATOM 908 N THR A 56 8.697 13.738 0.363 1.00 0.00 N ATOM 909 CA THR A 56 9.553 12.676 -0.158 1.00 0.00 C ATOM 910 C THR A 56 8.770 11.379 -0.325 1.00 0.00 C ATOM 911 O THR A 56 7.715 11.195 0.282 1.00 0.00 O ATOM 912 CB THR A 56 10.732 12.444 0.788 1.00 0.00 C ATOM 913 OG1 THR A 56 11.356 13.685 1.077 1.00 0.00 O ATOM 914 CG2 THR A 56 11.744 11.505 0.129 1.00 0.00 C ATOM 0 H THR A 56 8.387 13.603 1.325 1.00 0.00 H new ATOM 0 HA THR A 56 9.924 12.987 -1.135 1.00 0.00 H new ATOM 0 HB THR A 56 10.371 11.993 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.875 14.132 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.583 11.342 0.805 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.265 10.551 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.106 11.952 -0.797 1.00 0.00 H new ATOM 922 N ASP A 57 9.296 10.480 -1.150 1.00 0.00 N ATOM 923 CA ASP A 57 8.640 9.200 -1.388 1.00 0.00 C ATOM 924 C ASP A 57 9.638 8.054 -1.252 1.00 0.00 C ATOM 925 O ASP A 57 10.770 8.142 -1.727 1.00 0.00 O ATOM 926 CB ASP A 57 8.025 9.177 -2.788 1.00 0.00 C ATOM 927 CG ASP A 57 7.700 7.742 -3.190 1.00 0.00 C ATOM 928 OD1 ASP A 57 6.932 7.109 -2.485 1.00 0.00 O ATOM 929 OD2 ASP A 57 8.223 7.297 -4.198 1.00 0.00 O ATOM 0 H ASP A 57 10.168 10.613 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 57 7.853 9.075 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.119 9.783 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.717 9.617 -3.506 1.00 0.00 H new ATOM 934 N ALA A 58 9.205 6.981 -0.601 1.00 0.00 N ATOM 935 CA ALA A 58 10.062 5.818 -0.405 1.00 0.00 C ATOM 936 C ALA A 58 9.260 4.532 -0.584 1.00 0.00 C ATOM 937 O ALA A 58 8.033 4.540 -0.490 1.00 0.00 O ATOM 938 CB ALA A 58 10.675 5.850 0.997 1.00 0.00 C ATOM 0 H ALA A 58 8.271 6.892 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 58 10.859 5.845 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.314 4.978 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.269 6.757 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.880 5.839 1.742 1.00 0.00 H new ATOM 944 N LYS A 59 9.956 3.428 -0.837 1.00 0.00 N ATOM 945 CA LYS A 59 9.287 2.145 -1.022 1.00 0.00 C ATOM 946 C LYS A 59 9.701 1.164 0.064 1.00 0.00 C ATOM 947 O LYS A 59 10.868 1.107 0.454 1.00 0.00 O ATOM 948 CB LYS A 59 9.635 1.554 -2.388 1.00 0.00 C ATOM 949 CG LYS A 59 8.653 2.076 -3.441 1.00 0.00 C ATOM 950 CD LYS A 59 9.298 1.997 -4.826 1.00 0.00 C ATOM 951 CE LYS A 59 10.539 2.888 -4.857 1.00 0.00 C ATOM 952 NZ LYS A 59 10.581 3.639 -6.145 1.00 0.00 N ATOM 0 H LYS A 59 10.972 3.395 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 59 8.212 2.316 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.655 1.823 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.593 0.466 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.736 1.487 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.376 3.106 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.570 0.967 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.588 2.316 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.521 3.584 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.438 2.281 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.426 4.245 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.618 2.967 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.729 4.229 -6.231 1.00 0.00 H new ATOM 966 N GLU A 60 8.740 0.384 0.539 1.00 0.00 N ATOM 967 CA GLU A 60 9.016 -0.603 1.572 1.00 0.00 C ATOM 968 C GLU A 60 8.234 -1.878 1.290 1.00 0.00 C ATOM 969 O GLU A 60 7.187 -2.124 1.890 1.00 0.00 O ATOM 970 CB GLU A 60 8.635 -0.046 2.944 1.00 0.00 C ATOM 971 CG GLU A 60 7.310 0.711 2.840 1.00 0.00 C ATOM 972 CD GLU A 60 6.743 0.958 4.234 1.00 0.00 C ATOM 973 OE1 GLU A 60 7.459 0.723 5.193 1.00 0.00 O ATOM 974 OE2 GLU A 60 5.601 1.378 4.321 1.00 0.00 O ATOM 0 H GLU A 60 7.769 0.415 0.228 1.00 0.00 H new ATOM 0 HA GLU A 60 10.082 -0.832 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.546 -0.858 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.418 0.619 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.463 1.660 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.599 0.138 2.245 1.00 0.00 H new ATOM 981 N PHE A 61 8.747 -2.680 0.366 1.00 0.00 N ATOM 982 CA PHE A 61 8.090 -3.928 -0.003 1.00 0.00 C ATOM 983 C PHE A 61 8.897 -5.129 0.480 1.00 0.00 C ATOM 984 O PHE A 61 9.710 -5.015 1.398 1.00 0.00 O ATOM 985 CB PHE A 61 7.929 -3.994 -1.523 1.00 0.00 C ATOM 986 CG PHE A 61 9.280 -3.865 -2.179 1.00 0.00 C ATOM 987 CD1 PHE A 61 9.803 -2.597 -2.456 1.00 0.00 C ATOM 988 CD2 PHE A 61 10.011 -5.012 -2.513 1.00 0.00 C ATOM 989 CE1 PHE A 61 11.056 -2.475 -3.066 1.00 0.00 C ATOM 990 CE2 PHE A 61 11.266 -4.889 -3.123 1.00 0.00 C ATOM 991 CZ PHE A 61 11.788 -3.621 -3.400 1.00 0.00 C ATOM 0 H PHE A 61 9.612 -2.490 -0.140 1.00 0.00 H new ATOM 0 HA PHE A 61 7.109 -3.957 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.463 -4.937 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.270 -3.196 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.239 -1.712 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.607 -5.991 -2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.459 -1.496 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.831 -5.773 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.755 -3.526 -3.871 1.00 0.00 H new ATOM 1001 N SER A 62 8.663 -6.281 -0.142 1.00 0.00 N ATOM 1002 CA SER A 62 9.372 -7.500 0.232 1.00 0.00 C ATOM 1003 C SER A 62 9.970 -8.171 -0.999 1.00 0.00 C ATOM 1004 O SER A 62 11.184 -8.143 -1.206 1.00 0.00 O ATOM 1005 CB SER A 62 8.413 -8.469 0.923 1.00 0.00 C ATOM 1006 OG SER A 62 7.851 -7.835 2.064 1.00 0.00 O ATOM 0 H SER A 62 7.993 -6.396 -0.902 1.00 0.00 H new ATOM 0 HA SER A 62 10.178 -7.233 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.624 -8.772 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.942 -9.375 1.219 1.00 0.00 H new ATOM 0 HG SER A 62 7.234 -8.452 2.510 1.00 0.00 H new ATOM 1012 N SER A 63 9.111 -8.773 -1.813 1.00 0.00 N ATOM 1013 CA SER A 63 9.565 -9.450 -3.022 1.00 0.00 C ATOM 1014 C SER A 63 8.901 -8.849 -4.257 1.00 0.00 C ATOM 1015 O SER A 63 9.494 -8.815 -5.335 1.00 0.00 O ATOM 1016 CB SER A 63 9.238 -10.941 -2.939 1.00 0.00 C ATOM 1017 OG SER A 63 7.831 -11.118 -3.038 1.00 0.00 O ATOM 0 H SER A 63 8.103 -8.806 -1.660 1.00 0.00 H new ATOM 0 HA SER A 63 10.644 -9.318 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.742 -11.481 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.603 -11.354 -1.998 1.00 0.00 H new ATOM 0 HG SER A 63 7.628 -12.070 -3.148 1.00 0.00 H new ATOM 1023 N THR A 64 7.668 -8.378 -4.094 1.00 0.00 N ATOM 1024 CA THR A 64 6.936 -7.783 -5.208 1.00 0.00 C ATOM 1025 C THR A 64 7.666 -6.553 -5.735 1.00 0.00 C ATOM 1026 CB THR A 64 5.526 -7.388 -4.759 1.00 0.00 C ATOM 1027 OG1 THR A 64 5.612 -6.574 -3.598 1.00 0.00 O ATOM 1028 CG2 THR A 64 4.717 -8.646 -4.446 1.00 0.00 C ATOM 0 H THR A 64 7.159 -8.396 -3.210 1.00 0.00 H new ATOM 0 HA THR A 64 6.869 -8.522 -6.007 1.00 0.00 H new ATOM 0 HB THR A 64 5.032 -6.832 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.711 -6.319 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.714 -8.363 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.652 -9.268 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.207 -9.205 -3.649 1.00 0.00 H new TER 1036 THR A 64 HETATM 1037 ZN ZN A1319 -6.878 -3.372 -6.695 1.00 0.00 ZN HETATM 1038 PG ATP A1318 0.718 0.053 12.142 1.00 0.00 P HETATM 1039 O1G ATP A1318 -0.430 -0.805 11.769 1.00 0.00 O HETATM 1040 O2G ATP A1318 0.946 -0.022 13.735 1.00 0.00 O HETATM 1041 O3G ATP A1318 0.424 1.574 11.706 1.00 0.00 O HETATM 1042 PB ATP A1318 1.575 -0.968 9.931 1.00 0.00 P HETATM 1043 O1B ATP A1318 0.900 -2.280 10.039 1.00 0.00 O HETATM 1044 O2B ATP A1318 0.559 0.107 9.291 1.00 0.00 O HETATM 1045 O3B ATP A1318 2.041 -0.471 11.388 1.00 0.00 O HETATM 1046 PA ATP A1318 2.335 -1.532 7.522 1.00 0.00 P HETATM 1047 O1A ATP A1318 3.438 -1.430 6.543 1.00 0.00 O HETATM 1048 O2A ATP A1318 1.133 -0.556 7.075 1.00 0.00 O HETATM 1049 O3A ATP A1318 2.867 -1.113 8.982 1.00 0.00 O HETATM 1050 O5' ATP A1318 1.802 -3.052 7.561 1.00 0.00 O HETATM 1051 C5' ATP A1318 1.493 -3.415 6.214 1.00 0.00 C HETATM 1052 C4' ATP A1318 2.479 -4.484 5.733 1.00 0.00 C HETATM 1053 O4' ATP A1318 1.798 -5.538 4.999 1.00 0.00 O HETATM 1054 C3' ATP A1318 3.526 -3.898 4.776 1.00 0.00 C HETATM 1055 O3' ATP A1318 4.802 -4.514 4.976 1.00 0.00 O HETATM 1056 C2' ATP A1318 2.961 -4.164 3.377 1.00 0.00 C HETATM 1057 O2' ATP A1318 3.984 -4.625 2.492 1.00 0.00 O HETATM 1058 C1' ATP A1318 1.846 -5.213 3.575 1.00 0.00 C HETATM 1059 N9 ATP A1318 0.556 -4.669 3.137 1.00 0.00 N HETATM 1060 C8 ATP A1318 -0.480 -4.299 3.948 1.00 0.00 C HETATM 1061 N7 ATP A1318 -1.549 -4.086 3.238 1.00 0.00 N HETATM 1062 C5 ATP A1318 -1.231 -4.173 1.928 1.00 0.00 C HETATM 1063 C6 ATP A1318 -1.936 -4.059 0.705 1.00 0.00 C HETATM 1064 N6 ATP A1318 -3.314 -3.979 0.706 1.00 0.00 N HETATM 1065 N1 ATP A1318 -1.241 -4.032 -0.459 1.00 0.00 N HETATM 1066 C2 ATP A1318 0.078 -4.271 -0.498 1.00 0.00 C HETATM 1067 N3 ATP A1318 0.772 -4.434 0.631 1.00 0.00 N HETATM 1068 C4 ATP A1318 0.158 -4.445 1.843 1.00 0.00 C HETATM 0 HO3' ATP A1318 4.679 -5.469 5.160 1.00 0.00 H new HETATM 0 HO2' ATP A1318 4.800 -4.809 3.003 1.00 0.00 H new HETATM 0 HN62 ATP A1318 -3.821 -3.897 -0.175 1.00 0.00 H new HETATM 0 HN61 ATP A1318 -3.826 -4.002 1.588 1.00 0.00 H new HETATM 0 H5'2 ATP A1318 0.472 -3.793 6.153 1.00 0.00 H new HETATM 0 H5'1 ATP A1318 1.547 -2.538 5.568 1.00 0.00 H new HETATM 0 H8 ATP A1318 -0.419 -4.197 5.032 1.00 0.00 H new HETATM 0 H4' ATP A1318 2.954 -4.876 6.633 1.00 0.00 H new HETATM 0 H3' ATP A1318 3.698 -2.834 4.938 1.00 0.00 H new HETATM 0 H2' ATP A1318 2.565 -3.259 2.916 1.00 0.00 H new HETATM 0 H2 ATP A1318 0.588 -4.333 -1.459 1.00 0.00 H new HETATM 0 H1' ATP A1318 2.051 -6.106 2.984 1.00 0.00 H new