USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 180:sc=-0.00506 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 ASN : amide:sc= 0 K(o=-6.6,f=-7.5) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -6.59! C(o=-6.6!,f=-6.5!) USER MOD Set 3.1: A 11 SER OG : rot -104:sc= -0.783 USER MOD Set 3.2: A 13 HIS : no HE2:sc= -0.411 K(o=-1.2,f=-9.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 1.3 (180deg=-0.591) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 126:sc= 1.13! USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.039 (180deg=-0.652) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -98:sc= 1.25 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.186) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0972 USER MOD Single : A 69 THR OG1 : rot -39:sc= 0.141 USER MOD Single : A 76 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.0068) USER MOD Single : A 82 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.047 9.279 -8.314 1.00 0.00 N ATOM 2 CA MET A 1 -9.672 9.280 -8.891 1.00 0.00 C ATOM 3 C MET A 1 -8.650 8.890 -7.819 1.00 0.00 C ATOM 4 O MET A 1 -7.718 9.620 -7.542 1.00 0.00 O ATOM 5 CB MET A 1 -9.441 10.717 -9.359 1.00 0.00 C ATOM 6 CG MET A 1 -9.591 11.672 -8.172 1.00 0.00 C ATOM 7 SD MET A 1 -11.265 12.358 -8.157 1.00 0.00 S ATOM 8 CE MET A 1 -10.822 14.054 -8.606 1.00 0.00 C ATOM 0 H1 MET A 1 -11.614 8.536 -8.770 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.994 9.096 -7.292 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.493 10.204 -8.478 1.00 0.00 H new ATOM 0 HA MET A 1 -9.564 8.565 -9.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.446 10.814 -9.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.156 10.976 -10.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.395 11.143 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.858 12.476 -8.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.724 14.665 -8.655 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.146 14.464 -7.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.329 14.056 -9.578 1.00 0.00 H new ATOM 20 N VAL A 2 -8.818 7.745 -7.215 1.00 0.00 N ATOM 21 CA VAL A 2 -7.855 7.308 -6.162 1.00 0.00 C ATOM 22 C VAL A 2 -6.710 6.513 -6.794 1.00 0.00 C ATOM 23 O VAL A 2 -6.912 5.729 -7.698 1.00 0.00 O ATOM 24 CB VAL A 2 -8.674 6.421 -5.222 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.789 5.937 -4.072 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.845 7.227 -4.656 1.00 0.00 C ATOM 0 H VAL A 2 -9.579 7.093 -7.404 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.404 8.149 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.053 5.561 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.374 5.305 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.953 5.364 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.409 6.796 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.430 6.597 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.463 8.086 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.478 7.573 -5.474 1.00 0.00 H new ATOM 36 N LYS A 3 -5.507 6.711 -6.328 1.00 0.00 N ATOM 37 CA LYS A 3 -4.354 5.965 -6.908 1.00 0.00 C ATOM 38 C LYS A 3 -3.384 5.535 -5.805 1.00 0.00 C ATOM 39 O LYS A 3 -2.982 6.329 -4.977 1.00 0.00 O ATOM 40 CB LYS A 3 -3.678 6.959 -7.853 1.00 0.00 C ATOM 41 CG LYS A 3 -4.408 6.968 -9.198 1.00 0.00 C ATOM 42 CD LYS A 3 -3.620 7.813 -10.200 1.00 0.00 C ATOM 43 CE LYS A 3 -2.662 6.916 -10.984 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.085 7.797 -12.038 1.00 0.00 N ATOM 0 H LYS A 3 -5.273 7.355 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.670 5.057 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.689 7.957 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.633 6.686 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.517 5.950 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.413 7.372 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.304 8.317 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.062 8.589 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.883 6.511 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.186 6.067 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.416 7.252 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.849 8.163 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.586 8.593 -11.591 1.00 0.00 H new ATOM 58 N ILE A 4 -2.996 4.288 -5.789 1.00 0.00 N ATOM 59 CA ILE A 4 -2.046 3.827 -4.744 1.00 0.00 C ATOM 60 C ILE A 4 -0.636 3.706 -5.336 1.00 0.00 C ATOM 61 O ILE A 4 -0.445 3.155 -6.403 1.00 0.00 O ATOM 62 CB ILE A 4 -2.583 2.476 -4.267 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.869 2.697 -3.471 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.549 1.785 -3.372 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.583 1.362 -3.283 1.00 0.00 C ATOM 0 H ILE A 4 -3.296 3.574 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.970 4.525 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.784 1.846 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.639 3.139 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.518 3.399 -3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.941 0.824 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.629 1.626 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.340 2.413 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.501 1.517 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.826 0.939 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.933 0.675 -2.741 1.00 0.00 H new ATOM 77 N ARG A 5 0.353 4.224 -4.654 1.00 0.00 N ATOM 78 CA ARG A 5 1.746 4.148 -5.177 1.00 0.00 C ATOM 79 C ARG A 5 2.750 4.122 -4.020 1.00 0.00 C ATOM 80 O ARG A 5 2.389 3.901 -2.885 1.00 0.00 O ATOM 81 CB ARG A 5 1.928 5.401 -6.039 1.00 0.00 C ATOM 82 CG ARG A 5 1.865 6.657 -5.164 1.00 0.00 C ATOM 83 CD ARG A 5 3.058 7.561 -5.485 1.00 0.00 C ATOM 84 NE ARG A 5 2.661 8.914 -4.997 1.00 0.00 N ATOM 85 CZ ARG A 5 2.723 9.217 -3.721 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.120 8.336 -2.838 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.381 10.412 -3.326 1.00 0.00 N ATOM 0 H ARG A 5 0.254 4.697 -3.756 1.00 0.00 H new ATOM 0 HA ARG A 5 1.917 3.240 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.885 5.358 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.152 5.442 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.932 7.191 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.878 6.380 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.963 7.212 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.267 7.573 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 5 2.337 9.614 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.387 7.398 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.163 8.587 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.068 11.104 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.427 10.655 -2.336 1.00 0.00 H new ATOM 101 N LEU A 6 4.009 4.347 -4.295 1.00 0.00 N ATOM 102 CA LEU A 6 5.023 4.321 -3.194 1.00 0.00 C ATOM 103 C LEU A 6 5.178 5.705 -2.561 1.00 0.00 C ATOM 104 O LEU A 6 5.316 6.702 -3.241 1.00 0.00 O ATOM 105 CB LEU A 6 6.340 3.912 -3.860 1.00 0.00 C ATOM 106 CG LEU A 6 6.275 2.450 -4.292 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.621 2.027 -4.885 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.947 1.565 -3.086 1.00 0.00 C ATOM 0 H LEU A 6 4.378 4.546 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 6 4.725 3.635 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.532 4.547 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.168 4.058 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 6 5.495 2.336 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.571 0.982 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.849 2.649 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.403 2.147 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.902 0.523 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.721 1.682 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.984 1.860 -2.669 1.00 0.00 H new ATOM 120 N ALA A 7 5.163 5.766 -1.257 1.00 0.00 N ATOM 121 CA ALA A 7 5.315 7.078 -0.566 1.00 0.00 C ATOM 122 C ALA A 7 6.720 7.217 0.019 1.00 0.00 C ATOM 123 O ALA A 7 7.019 6.674 1.060 1.00 0.00 O ATOM 124 CB ALA A 7 4.285 7.042 0.556 1.00 0.00 C ATOM 0 H ALA A 7 5.052 4.962 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 7 5.169 7.919 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.328 7.974 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.289 6.920 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.501 6.206 1.221 1.00 0.00 H new ATOM 130 N ARG A 8 7.582 7.938 -0.641 1.00 0.00 N ATOM 131 CA ARG A 8 8.970 8.106 -0.128 1.00 0.00 C ATOM 132 C ARG A 8 8.996 9.002 1.114 1.00 0.00 C ATOM 133 O ARG A 8 8.617 10.156 1.066 1.00 0.00 O ATOM 134 CB ARG A 8 9.730 8.778 -1.270 1.00 0.00 C ATOM 135 CG ARG A 8 11.233 8.567 -1.078 1.00 0.00 C ATOM 136 CD ARG A 8 11.840 9.808 -0.418 1.00 0.00 C ATOM 137 NE ARG A 8 13.023 10.155 -1.260 1.00 0.00 N ATOM 138 CZ ARG A 8 13.713 11.248 -1.034 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.384 12.066 -0.064 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.744 11.526 -1.784 1.00 0.00 N ATOM 0 H ARG A 8 7.384 8.420 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 8 9.407 7.152 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.413 8.362 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.502 9.844 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.412 7.688 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.711 8.382 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.123 10.629 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.135 9.603 0.611 1.00 0.00 H new ATOM 0 HE ARG A 8 13.299 9.534 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.581 11.857 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.931 12.911 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.009 10.895 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.285 12.374 -1.614 1.00 0.00 H new ATOM 154 N PHE A 9 9.455 8.486 2.221 1.00 0.00 N ATOM 155 CA PHE A 9 9.520 9.320 3.460 1.00 0.00 C ATOM 156 C PHE A 9 10.964 9.732 3.753 1.00 0.00 C ATOM 157 O PHE A 9 11.306 10.898 3.762 1.00 0.00 O ATOM 158 CB PHE A 9 9.038 8.428 4.600 1.00 0.00 C ATOM 159 CG PHE A 9 7.756 7.731 4.245 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.534 8.389 4.413 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.787 6.407 3.796 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.346 7.727 4.124 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.597 5.744 3.519 1.00 0.00 C ATOM 164 CZ PHE A 9 5.382 6.406 3.683 1.00 0.00 C ATOM 0 H PHE A 9 9.787 7.527 2.324 1.00 0.00 H new ATOM 0 HA PHE A 9 8.917 10.221 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.804 7.688 4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.891 9.029 5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.513 9.409 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.732 5.901 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.400 8.234 4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.614 4.719 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.459 5.890 3.466 1.00 0.00 H new ATOM 174 N GLY A 10 11.802 8.769 4.024 1.00 0.00 N ATOM 175 CA GLY A 10 13.220 9.067 4.354 1.00 0.00 C ATOM 176 C GLY A 10 13.831 10.000 3.304 1.00 0.00 C ATOM 177 O GLY A 10 13.739 9.759 2.117 1.00 0.00 O ATOM 0 H GLY A 10 11.559 7.778 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.281 9.529 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.791 8.140 4.401 1.00 0.00 H new ATOM 181 N SER A 11 14.466 11.058 3.737 1.00 0.00 N ATOM 182 CA SER A 11 15.097 12.002 2.769 1.00 0.00 C ATOM 183 C SER A 11 16.291 11.322 2.097 1.00 0.00 C ATOM 184 O SER A 11 16.501 11.434 0.906 1.00 0.00 O ATOM 185 CB SER A 11 15.561 13.192 3.622 1.00 0.00 C ATOM 186 OG SER A 11 16.915 13.005 4.016 1.00 0.00 O ATOM 0 H SER A 11 14.575 11.309 4.720 1.00 0.00 H new ATOM 0 HA SER A 11 14.415 12.315 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.462 14.118 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.927 13.289 4.503 1.00 0.00 H new ATOM 0 HG SER A 11 16.948 12.737 4.958 1.00 0.00 H new ATOM 192 N LYS A 12 17.075 10.623 2.868 1.00 0.00 N ATOM 193 CA LYS A 12 18.265 9.930 2.307 1.00 0.00 C ATOM 194 C LYS A 12 18.934 9.105 3.404 1.00 0.00 C ATOM 195 O LYS A 12 20.142 9.003 3.478 1.00 0.00 O ATOM 196 CB LYS A 12 19.191 11.049 1.834 1.00 0.00 C ATOM 197 CG LYS A 12 19.442 12.037 2.976 1.00 0.00 C ATOM 198 CD LYS A 12 20.932 12.051 3.326 1.00 0.00 C ATOM 199 CE LYS A 12 21.738 12.530 2.116 1.00 0.00 C ATOM 200 NZ LYS A 12 23.114 12.004 2.339 1.00 0.00 N ATOM 0 H LYS A 12 16.940 10.502 3.872 1.00 0.00 H new ATOM 0 HA LYS A 12 18.013 9.249 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.137 10.629 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.745 11.567 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.118 13.036 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.856 11.754 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.110 12.708 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.256 11.053 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.316 12.151 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.737 13.618 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.728 12.291 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.492 12.387 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.084 10.966 2.394 1.00 0.00 H new ATOM 214 N HIS A 13 18.147 8.526 4.266 1.00 0.00 N ATOM 215 CA HIS A 13 18.717 7.712 5.380 1.00 0.00 C ATOM 216 C HIS A 13 18.288 6.255 5.200 1.00 0.00 C ATOM 217 O HIS A 13 19.101 5.364 5.054 1.00 0.00 O ATOM 218 CB HIS A 13 18.117 8.284 6.677 1.00 0.00 C ATOM 219 CG HIS A 13 17.936 9.773 6.553 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.994 10.658 6.658 1.00 0.00 N ATOM 221 CD2 HIS A 13 16.832 10.537 6.278 1.00 0.00 C ATOM 222 CE1 HIS A 13 18.506 11.893 6.445 1.00 0.00 C ATOM 223 NE2 HIS A 13 17.193 11.876 6.215 1.00 0.00 N ATOM 0 H HIS A 13 17.129 8.580 4.249 1.00 0.00 H new ATOM 0 HA HIS A 13 19.806 7.749 5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.157 7.810 6.883 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.771 8.059 7.519 1.00 0.00 H new ATOM 0 HD1 HIS A 13 19.965 10.418 6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.832 10.155 6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 13 19.106 12.791 6.459 1.00 0.00 H new ATOM 231 N ASN A 14 17.005 6.021 5.193 1.00 0.00 N ATOM 232 CA ASN A 14 16.485 4.638 5.003 1.00 0.00 C ATOM 233 C ASN A 14 15.530 4.626 3.803 1.00 0.00 C ATOM 234 O ASN A 14 14.488 5.248 3.845 1.00 0.00 O ATOM 235 CB ASN A 14 15.731 4.318 6.297 1.00 0.00 C ATOM 236 CG ASN A 14 15.587 2.802 6.446 1.00 0.00 C ATOM 237 OD1 ASN A 14 15.001 2.149 5.605 1.00 0.00 O ATOM 238 ND2 ASN A 14 16.099 2.210 7.491 1.00 0.00 N ATOM 0 H ASN A 14 16.288 6.736 5.312 1.00 0.00 H new ATOM 0 HA ASN A 14 17.271 3.908 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.267 4.728 7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.747 4.787 6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.007 1.200 7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.591 2.757 8.197 1.00 0.00 H new ATOM 245 N PRO A 15 15.917 3.938 2.758 1.00 0.00 N ATOM 246 CA PRO A 15 15.072 3.884 1.540 1.00 0.00 C ATOM 247 C PRO A 15 13.838 3.004 1.759 1.00 0.00 C ATOM 248 O PRO A 15 13.930 1.796 1.843 1.00 0.00 O ATOM 249 CB PRO A 15 15.995 3.272 0.488 1.00 0.00 C ATOM 250 CG PRO A 15 17.004 2.487 1.264 1.00 0.00 C ATOM 251 CD PRO A 15 17.152 3.155 2.606 1.00 0.00 C ATOM 0 HA PRO A 15 14.688 4.863 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.441 2.632 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.474 4.045 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.679 1.453 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.959 2.463 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.260 2.422 3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.035 3.794 2.638 1.00 0.00 H new ATOM 259 N HIS A 16 12.681 3.604 1.836 1.00 0.00 N ATOM 260 CA HIS A 16 11.433 2.808 2.030 1.00 0.00 C ATOM 261 C HIS A 16 10.208 3.659 1.719 1.00 0.00 C ATOM 262 O HIS A 16 10.069 4.769 2.191 1.00 0.00 O ATOM 263 CB HIS A 16 11.419 2.384 3.502 1.00 0.00 C ATOM 264 CG HIS A 16 11.388 3.598 4.391 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.228 4.338 4.626 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.377 4.215 5.113 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.564 5.347 5.458 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.857 5.315 5.784 1.00 0.00 N ATOM 0 H HIS A 16 12.545 4.613 1.773 1.00 0.00 H new ATOM 0 HA HIS A 16 11.409 1.944 1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.549 1.757 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.302 1.784 3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.407 3.894 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.869 6.091 5.817 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.357 5.960 6.395 1.00 0.00 H new ATOM 276 N TYR A 17 9.308 3.141 0.941 1.00 0.00 N ATOM 277 CA TYR A 17 8.084 3.898 0.626 1.00 0.00 C ATOM 278 C TYR A 17 6.893 3.067 1.047 1.00 0.00 C ATOM 279 O TYR A 17 6.965 1.856 1.059 1.00 0.00 O ATOM 280 CB TYR A 17 8.020 4.024 -0.888 1.00 0.00 C ATOM 281 CG TYR A 17 9.317 4.492 -1.485 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.432 3.653 -1.499 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.386 5.760 -2.063 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.620 4.085 -2.084 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.570 6.194 -2.653 1.00 0.00 C ATOM 286 CZ TYR A 17 11.693 5.358 -2.664 1.00 0.00 C ATOM 287 OH TYR A 17 12.867 5.785 -3.247 1.00 0.00 O ATOM 0 H TYR A 17 9.372 2.219 0.509 1.00 0.00 H new ATOM 0 HA TYR A 17 8.083 4.868 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.754 3.058 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.228 4.722 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.374 2.669 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.520 6.405 -2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.485 3.438 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.622 7.175 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 17 12.745 6.690 -3.602 1.00 0.00 H new ATOM 297 N ARG A 18 5.785 3.675 1.328 1.00 0.00 N ATOM 298 CA ARG A 18 4.603 2.851 1.668 1.00 0.00 C ATOM 299 C ARG A 18 3.729 2.757 0.437 1.00 0.00 C ATOM 300 O ARG A 18 3.859 3.538 -0.484 1.00 0.00 O ATOM 301 CB ARG A 18 3.848 3.578 2.772 1.00 0.00 C ATOM 302 CG ARG A 18 4.531 3.335 4.118 1.00 0.00 C ATOM 303 CD ARG A 18 3.594 2.534 5.024 1.00 0.00 C ATOM 304 NE ARG A 18 3.972 2.926 6.412 1.00 0.00 N ATOM 305 CZ ARG A 18 3.459 2.308 7.449 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.608 1.325 7.295 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.804 2.679 8.653 1.00 0.00 N ATOM 0 H ARG A 18 5.645 4.685 1.338 1.00 0.00 H new ATOM 0 HA ARG A 18 4.886 1.851 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.815 4.646 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.816 3.228 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.465 2.793 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.784 4.286 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.550 2.769 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.716 1.462 4.869 1.00 0.00 H new ATOM 0 HE ARG A 18 4.638 3.685 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.335 1.029 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.218 0.855 8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.467 3.443 8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.410 2.204 9.465 1.00 0.00 H new ATOM 321 N ILE A 19 2.808 1.856 0.429 1.00 0.00 N ATOM 322 CA ILE A 19 1.896 1.766 -0.717 1.00 0.00 C ATOM 323 C ILE A 19 0.671 2.507 -0.230 1.00 0.00 C ATOM 324 O ILE A 19 -0.253 1.939 0.312 1.00 0.00 O ATOM 325 CB ILE A 19 1.611 0.274 -0.985 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.628 -0.654 -0.309 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.708 0.009 -2.481 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.031 -0.278 -0.768 1.00 0.00 C ATOM 0 H ILE A 19 2.648 1.175 1.171 1.00 0.00 H new ATOM 0 HA ILE A 19 2.271 2.184 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 19 0.618 0.069 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.552 -0.569 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.415 -1.693 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.508 -1.044 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.976 0.622 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.710 0.259 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.758 -0.935 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.101 -0.386 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.239 0.756 -0.492 1.00 0.00 H new ATOM 340 N VAL A 20 0.730 3.803 -0.319 1.00 0.00 N ATOM 341 CA VAL A 20 -0.340 4.648 0.242 1.00 0.00 C ATOM 342 C VAL A 20 -1.349 5.069 -0.830 1.00 0.00 C ATOM 343 O VAL A 20 -1.139 4.877 -2.010 1.00 0.00 O ATOM 344 CB VAL A 20 0.457 5.824 0.849 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.486 7.044 -0.076 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.149 6.218 2.190 1.00 0.00 C ATOM 0 H VAL A 20 1.490 4.316 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.967 4.150 0.982 1.00 0.00 H new ATOM 0 HB VAL A 20 1.485 5.486 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.058 7.844 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.954 6.772 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.533 7.386 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.416 7.048 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.186 6.521 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.111 5.367 2.870 1.00 0.00 H new ATOM 356 N VAL A 21 -2.468 5.587 -0.408 1.00 0.00 N ATOM 357 CA VAL A 21 -3.537 5.964 -1.368 1.00 0.00 C ATOM 358 C VAL A 21 -3.712 7.483 -1.423 1.00 0.00 C ATOM 359 O VAL A 21 -4.222 8.093 -0.505 1.00 0.00 O ATOM 360 CB VAL A 21 -4.823 5.302 -0.828 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.570 4.654 -1.984 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.517 4.217 0.210 1.00 0.00 C ATOM 0 H VAL A 21 -2.688 5.766 0.572 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.297 5.637 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.420 6.079 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.480 4.184 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.830 5.414 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.936 3.899 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.450 3.778 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.900 3.442 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.983 4.659 1.051 1.00 0.00 H new ATOM 372 N THR A 22 -3.307 8.097 -2.501 1.00 0.00 N ATOM 373 CA THR A 22 -3.462 9.576 -2.619 1.00 0.00 C ATOM 374 C THR A 22 -3.916 9.944 -4.035 1.00 0.00 C ATOM 375 O THR A 22 -4.358 9.104 -4.794 1.00 0.00 O ATOM 376 CB THR A 22 -2.074 10.154 -2.330 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.082 11.551 -2.588 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.031 9.477 -3.220 1.00 0.00 C ATOM 0 H THR A 22 -2.876 7.640 -3.304 1.00 0.00 H new ATOM 0 HA THR A 22 -4.211 9.968 -1.931 1.00 0.00 H new ATOM 0 HB THR A 22 -1.821 9.975 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.762 12.032 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.046 9.894 -3.008 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.022 8.406 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.280 9.648 -4.267 1.00 0.00 H new ATOM 386 N ASP A 23 -3.812 11.195 -4.398 1.00 0.00 N ATOM 387 CA ASP A 23 -4.239 11.615 -5.764 1.00 0.00 C ATOM 388 C ASP A 23 -3.030 11.669 -6.703 1.00 0.00 C ATOM 389 O ASP A 23 -1.907 11.444 -6.297 1.00 0.00 O ATOM 390 CB ASP A 23 -4.837 13.011 -5.580 1.00 0.00 C ATOM 391 CG ASP A 23 -5.820 13.303 -6.715 1.00 0.00 C ATOM 392 OD1 ASP A 23 -5.365 13.659 -7.791 1.00 0.00 O ATOM 393 OD2 ASP A 23 -7.012 13.168 -6.492 1.00 0.00 O ATOM 0 H ASP A 23 -3.450 11.944 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.953 10.920 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.347 13.075 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.044 13.759 -5.571 1.00 0.00 H new ATOM 398 N ALA A 24 -3.249 11.966 -7.955 1.00 0.00 N ATOM 399 CA ALA A 24 -2.108 12.034 -8.913 1.00 0.00 C ATOM 400 C ALA A 24 -1.967 13.455 -9.466 1.00 0.00 C ATOM 401 O ALA A 24 -0.903 14.041 -9.438 1.00 0.00 O ATOM 402 CB ALA A 24 -2.468 11.055 -10.031 1.00 0.00 C ATOM 0 H ALA A 24 -4.166 12.164 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.158 11.781 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.674 11.048 -10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.584 10.054 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.403 11.364 -10.498 1.00 0.00 H new ATOM 408 N ARG A 25 -3.035 14.015 -9.968 1.00 0.00 N ATOM 409 CA ARG A 25 -2.966 15.399 -10.523 1.00 0.00 C ATOM 410 C ARG A 25 -2.327 16.350 -9.503 1.00 0.00 C ATOM 411 O ARG A 25 -1.617 17.270 -9.860 1.00 0.00 O ATOM 412 CB ARG A 25 -4.422 15.787 -10.788 1.00 0.00 C ATOM 413 CG ARG A 25 -4.513 16.565 -12.104 1.00 0.00 C ATOM 414 CD ARG A 25 -5.075 15.655 -13.199 1.00 0.00 C ATOM 415 NE ARG A 25 -6.402 16.244 -13.550 1.00 0.00 N ATOM 416 CZ ARG A 25 -7.289 15.550 -14.227 1.00 0.00 C ATOM 417 NH1 ARG A 25 -7.035 14.322 -14.609 1.00 0.00 N ATOM 418 NH2 ARG A 25 -8.438 16.091 -14.524 1.00 0.00 N ATOM 0 H ARG A 25 -3.953 13.574 -10.018 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.358 15.455 -11.426 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.044 14.893 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.803 16.395 -9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.153 17.438 -11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.527 16.931 -12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.415 15.627 -14.066 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.180 14.630 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.622 17.197 -13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.138 13.892 -14.381 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.734 13.796 -15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.643 17.046 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.132 15.559 -15.049 1.00 0.00 H new ATOM 432 N ARG A 26 -2.572 16.134 -8.239 1.00 0.00 N ATOM 433 CA ARG A 26 -1.976 17.022 -7.200 1.00 0.00 C ATOM 434 C ARG A 26 -0.615 16.474 -6.759 1.00 0.00 C ATOM 435 O ARG A 26 -0.531 15.582 -5.938 1.00 0.00 O ATOM 436 CB ARG A 26 -2.966 16.991 -6.034 1.00 0.00 C ATOM 437 CG ARG A 26 -3.849 18.240 -6.080 1.00 0.00 C ATOM 438 CD ARG A 26 -5.298 17.832 -6.359 1.00 0.00 C ATOM 439 NE ARG A 26 -5.775 17.213 -5.088 1.00 0.00 N ATOM 440 CZ ARG A 26 -7.044 16.921 -4.917 1.00 0.00 C ATOM 441 NH1 ARG A 26 -7.925 17.174 -5.853 1.00 0.00 N ATOM 442 NH2 ARG A 26 -7.432 16.372 -3.800 1.00 0.00 N ATOM 0 H ARG A 26 -3.159 15.381 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.811 18.035 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.583 16.094 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.428 16.948 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.787 18.777 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.496 18.920 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.906 18.695 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.357 17.127 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.107 17.014 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.629 17.604 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.907 16.941 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.752 16.172 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.416 16.142 -3.659 1.00 0.00 H new ATOM 456 N LYS A 27 0.450 16.997 -7.299 1.00 0.00 N ATOM 457 CA LYS A 27 1.802 16.501 -6.914 1.00 0.00 C ATOM 458 C LYS A 27 2.451 17.437 -5.887 1.00 0.00 C ATOM 459 O LYS A 27 3.435 17.095 -5.261 1.00 0.00 O ATOM 460 CB LYS A 27 2.602 16.497 -8.216 1.00 0.00 C ATOM 461 CG LYS A 27 2.669 17.918 -8.781 1.00 0.00 C ATOM 462 CD LYS A 27 4.080 18.194 -9.306 1.00 0.00 C ATOM 463 CE LYS A 27 4.077 18.136 -10.835 1.00 0.00 C ATOM 464 NZ LYS A 27 3.675 16.740 -11.166 1.00 0.00 N ATOM 0 H LYS A 27 0.443 17.747 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 27 1.760 15.515 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.608 16.119 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.135 15.829 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.941 18.036 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.410 18.641 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.419 19.174 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.779 17.460 -8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.378 18.859 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.061 18.370 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.983 16.510 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.120 16.082 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.641 16.652 -11.102 1.00 0.00 H new ATOM 478 N ARG A 28 1.914 18.615 -5.709 1.00 0.00 N ATOM 479 CA ARG A 28 2.510 19.562 -4.725 1.00 0.00 C ATOM 480 C ARG A 28 1.997 19.258 -3.315 1.00 0.00 C ATOM 481 O ARG A 28 2.613 19.613 -2.331 1.00 0.00 O ATOM 482 CB ARG A 28 2.047 20.948 -5.174 1.00 0.00 C ATOM 483 CG ARG A 28 2.673 21.281 -6.529 1.00 0.00 C ATOM 484 CD ARG A 28 2.477 22.768 -6.830 1.00 0.00 C ATOM 485 NE ARG A 28 3.319 23.480 -5.825 1.00 0.00 N ATOM 486 CZ ARG A 28 3.146 24.761 -5.588 1.00 0.00 C ATOM 487 NH1 ARG A 28 2.234 25.446 -6.231 1.00 0.00 N ATOM 488 NH2 ARG A 28 3.894 25.358 -4.701 1.00 0.00 N ATOM 0 H ARG A 28 1.090 18.961 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 28 3.597 19.486 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.960 20.974 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.334 21.696 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.735 21.038 -6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.214 20.677 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.787 23.009 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.429 23.054 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 28 4.038 22.966 -5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.646 24.986 -6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.111 26.440 -6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.607 24.831 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.766 26.352 -4.512 1.00 0.00 H new ATOM 502 N ASP A 29 0.875 18.601 -3.210 1.00 0.00 N ATOM 503 CA ASP A 29 0.331 18.276 -1.862 1.00 0.00 C ATOM 504 C ASP A 29 1.227 17.243 -1.173 1.00 0.00 C ATOM 505 O ASP A 29 2.010 17.570 -0.303 1.00 0.00 O ATOM 506 CB ASP A 29 -1.060 17.697 -2.123 1.00 0.00 C ATOM 507 CG ASP A 29 -2.112 18.583 -1.453 1.00 0.00 C ATOM 508 OD1 ASP A 29 -1.904 18.958 -0.311 1.00 0.00 O ATOM 509 OD2 ASP A 29 -3.111 18.871 -2.093 1.00 0.00 O ATOM 0 H ASP A 29 0.313 18.276 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 29 0.289 19.148 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.247 17.639 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.122 16.681 -1.733 1.00 0.00 H new ATOM 514 N GLY A 30 1.123 16.001 -1.562 1.00 0.00 N ATOM 515 CA GLY A 30 1.974 14.952 -0.933 1.00 0.00 C ATOM 516 C GLY A 30 1.209 14.270 0.205 1.00 0.00 C ATOM 517 O GLY A 30 1.789 13.606 1.041 1.00 0.00 O ATOM 0 H GLY A 30 0.487 15.668 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.267 14.213 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.892 15.398 -0.549 1.00 0.00 H new ATOM 521 N LYS A 31 -0.087 14.425 0.248 1.00 0.00 N ATOM 522 CA LYS A 31 -0.875 13.780 1.337 1.00 0.00 C ATOM 523 C LYS A 31 -1.770 12.677 0.763 1.00 0.00 C ATOM 524 O LYS A 31 -2.280 12.786 -0.334 1.00 0.00 O ATOM 525 CB LYS A 31 -1.722 14.907 1.928 1.00 0.00 C ATOM 526 CG LYS A 31 -1.224 15.233 3.336 1.00 0.00 C ATOM 527 CD LYS A 31 -1.823 14.239 4.332 1.00 0.00 C ATOM 528 CE LYS A 31 -1.119 14.384 5.682 1.00 0.00 C ATOM 529 NZ LYS A 31 -1.365 13.093 6.382 1.00 0.00 N ATOM 0 H LYS A 31 -0.632 14.968 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.239 13.310 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.661 15.792 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.770 14.610 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.136 15.185 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.507 16.250 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.892 14.421 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.711 13.221 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.052 14.567 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.521 15.224 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.912 13.114 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.389 12.949 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.966 12.313 5.822 1.00 0.00 H new ATOM 543 N TYR A 32 -1.965 11.615 1.497 1.00 0.00 N ATOM 544 CA TYR A 32 -2.831 10.504 0.990 1.00 0.00 C ATOM 545 C TYR A 32 -4.096 10.383 1.837 1.00 0.00 C ATOM 546 O TYR A 32 -4.287 11.100 2.799 1.00 0.00 O ATOM 547 CB TYR A 32 -1.993 9.222 1.110 1.00 0.00 C ATOM 548 CG TYR A 32 -1.379 9.133 2.488 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.100 8.564 3.544 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.089 9.629 2.708 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.529 8.489 4.820 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.482 9.555 3.983 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.238 8.985 5.039 1.00 0.00 C ATOM 554 OH TYR A 32 0.324 8.912 6.298 1.00 0.00 O ATOM 0 H TYR A 32 -1.565 11.466 2.423 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.144 10.686 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.620 8.349 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.209 9.218 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.096 8.183 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.466 10.069 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.084 8.049 5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.478 9.937 4.152 1.00 0.00 H new ATOM 0 HH TYR A 32 1.224 9.300 6.278 1.00 0.00 H new ATOM 564 N ILE A 33 -4.959 9.473 1.484 1.00 0.00 N ATOM 565 CA ILE A 33 -6.215 9.287 2.260 1.00 0.00 C ATOM 566 C ILE A 33 -5.941 8.402 3.480 1.00 0.00 C ATOM 567 O ILE A 33 -6.370 8.692 4.580 1.00 0.00 O ATOM 568 CB ILE A 33 -7.170 8.592 1.291 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.318 9.443 0.026 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.536 8.421 1.950 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.922 8.613 -1.195 1.00 0.00 C ATOM 0 H ILE A 33 -4.847 8.847 0.687 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.626 10.226 2.632 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.770 7.612 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.347 9.789 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.689 10.330 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.215 7.925 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.432 7.816 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.938 9.399 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.027 9.218 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.886 8.289 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.570 7.740 -1.267 1.00 0.00 H new ATOM 583 N GLU A 34 -5.226 7.328 3.290 1.00 0.00 N ATOM 584 CA GLU A 34 -4.914 6.420 4.432 1.00 0.00 C ATOM 585 C GLU A 34 -3.689 5.562 4.100 1.00 0.00 C ATOM 586 O GLU A 34 -3.269 5.478 2.964 1.00 0.00 O ATOM 587 CB GLU A 34 -6.157 5.545 4.592 1.00 0.00 C ATOM 588 CG GLU A 34 -6.494 5.403 6.078 1.00 0.00 C ATOM 589 CD GLU A 34 -7.669 6.315 6.438 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.436 6.645 5.548 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.786 6.669 7.600 1.00 0.00 O ATOM 0 H GLU A 34 -4.843 7.038 2.390 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.682 6.966 5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.998 5.988 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.982 4.563 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.744 4.367 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.624 5.661 6.683 1.00 0.00 H new ATOM 598 N LYS A 35 -3.114 4.922 5.083 1.00 0.00 N ATOM 599 CA LYS A 35 -1.918 4.068 4.818 1.00 0.00 C ATOM 600 C LYS A 35 -2.336 2.600 4.713 1.00 0.00 C ATOM 601 O LYS A 35 -2.691 1.977 5.694 1.00 0.00 O ATOM 602 CB LYS A 35 -1.002 4.279 6.024 1.00 0.00 C ATOM 603 CG LYS A 35 0.273 5.000 5.583 1.00 0.00 C ATOM 604 CD LYS A 35 1.391 4.731 6.593 1.00 0.00 C ATOM 605 CE LYS A 35 1.667 6.001 7.404 1.00 0.00 C ATOM 606 NZ LYS A 35 2.838 6.637 6.738 1.00 0.00 N ATOM 0 H LYS A 35 -3.419 4.953 6.056 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.423 4.328 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.517 4.864 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.751 3.319 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.573 4.656 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.089 6.072 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.105 3.917 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.296 4.415 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.803 6.666 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.886 5.765 8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.087 7.514 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.647 5.984 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.598 6.857 5.750 1.00 0.00 H new ATOM 620 N ILE A 36 -2.307 2.041 3.533 1.00 0.00 N ATOM 621 CA ILE A 36 -2.717 0.610 3.383 1.00 0.00 C ATOM 622 C ILE A 36 -1.514 -0.306 3.271 1.00 0.00 C ATOM 623 O ILE A 36 -1.540 -1.428 3.740 1.00 0.00 O ATOM 624 CB ILE A 36 -3.540 0.560 2.099 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.663 0.964 0.903 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.712 1.524 2.222 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.479 0.909 -0.384 1.00 0.00 C ATOM 0 H ILE A 36 -2.020 2.506 2.672 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.280 0.269 4.252 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.911 -0.453 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.271 1.970 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.805 0.296 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.305 1.494 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.335 1.234 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.336 2.535 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.850 1.197 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.849 -0.105 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.322 1.596 -0.310 1.00 0.00 H new ATOM 639 N GLY A 37 -0.477 0.129 2.626 1.00 0.00 N ATOM 640 CA GLY A 37 0.689 -0.767 2.466 1.00 0.00 C ATOM 641 C GLY A 37 1.991 -0.139 2.955 1.00 0.00 C ATOM 642 O GLY A 37 2.079 1.039 3.243 1.00 0.00 O ATOM 0 H GLY A 37 -0.386 1.055 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.509 -1.691 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.793 -1.035 1.415 1.00 0.00 H new ATOM 646 N TYR A 38 3.016 -0.949 2.985 1.00 0.00 N ATOM 647 CA TYR A 38 4.377 -0.480 3.380 1.00 0.00 C ATOM 648 C TYR A 38 5.411 -1.175 2.479 1.00 0.00 C ATOM 649 O TYR A 38 5.357 -2.375 2.294 1.00 0.00 O ATOM 650 CB TYR A 38 4.559 -0.916 4.838 1.00 0.00 C ATOM 651 CG TYR A 38 5.989 -0.661 5.264 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.397 0.630 5.620 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.909 -1.717 5.295 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.722 0.865 6.008 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.233 -1.482 5.684 1.00 0.00 C ATOM 656 CZ TYR A 38 8.639 -0.191 6.041 1.00 0.00 C ATOM 657 OH TYR A 38 9.944 0.041 6.421 1.00 0.00 O ATOM 0 H TYR A 38 2.965 -1.939 2.747 1.00 0.00 H new ATOM 0 HA TYR A 38 4.501 0.598 3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.873 -0.366 5.482 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.319 -1.974 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.689 1.445 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.597 -2.713 5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.036 1.861 6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.941 -2.297 5.709 1.00 0.00 H new ATOM 0 HH TYR A 38 10.503 0.145 5.623 1.00 0.00 H new ATOM 667 N TYR A 39 6.361 -0.458 1.930 1.00 0.00 N ATOM 668 CA TYR A 39 7.379 -1.147 1.075 1.00 0.00 C ATOM 669 C TYR A 39 8.793 -0.706 1.468 1.00 0.00 C ATOM 670 O TYR A 39 9.066 0.468 1.621 1.00 0.00 O ATOM 671 CB TYR A 39 7.096 -0.759 -0.382 1.00 0.00 C ATOM 672 CG TYR A 39 8.187 -1.310 -1.287 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.803 -2.536 -0.986 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.577 -0.599 -2.427 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.804 -3.044 -1.821 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.578 -1.112 -3.263 1.00 0.00 C ATOM 677 CZ TYR A 39 10.192 -2.332 -2.958 1.00 0.00 C ATOM 678 OH TYR A 39 11.178 -2.836 -3.785 1.00 0.00 O ATOM 0 H TYR A 39 6.476 0.550 2.032 1.00 0.00 H new ATOM 0 HA TYR A 39 7.316 -2.227 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.126 -1.149 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.048 0.326 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.503 -3.088 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.107 0.344 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.276 -3.986 -1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.876 -0.564 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 39 11.327 -2.218 -4.531 1.00 0.00 H new ATOM 688 N ASP A 40 9.696 -1.634 1.618 1.00 0.00 N ATOM 689 CA ASP A 40 11.093 -1.260 1.981 1.00 0.00 C ATOM 690 C ASP A 40 12.082 -2.137 1.204 1.00 0.00 C ATOM 691 O ASP A 40 12.306 -3.274 1.563 1.00 0.00 O ATOM 692 CB ASP A 40 11.202 -1.525 3.483 1.00 0.00 C ATOM 693 CG ASP A 40 12.328 -0.673 4.074 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.435 -0.759 3.571 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.063 0.050 5.021 1.00 0.00 O ATOM 0 H ASP A 40 9.529 -2.634 1.505 1.00 0.00 H new ATOM 0 HA ASP A 40 11.323 -0.222 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.258 -1.289 3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.399 -2.582 3.663 1.00 0.00 H new ATOM 700 N PRO A 41 12.639 -1.586 0.155 1.00 0.00 N ATOM 701 CA PRO A 41 13.601 -2.351 -0.679 1.00 0.00 C ATOM 702 C PRO A 41 14.892 -2.634 0.092 1.00 0.00 C ATOM 703 O PRO A 41 15.876 -1.935 -0.047 1.00 0.00 O ATOM 704 CB PRO A 41 13.860 -1.427 -1.866 1.00 0.00 C ATOM 705 CG PRO A 41 13.550 -0.058 -1.358 1.00 0.00 C ATOM 706 CD PRO A 41 12.443 -0.220 -0.351 1.00 0.00 C ATOM 0 HA PRO A 41 13.219 -3.327 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.893 -1.499 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.227 -1.687 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.429 0.395 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.242 0.598 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.515 0.518 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.462 -0.098 -0.810 1.00 0.00 H new ATOM 714 N ARG A 42 14.896 -3.661 0.898 1.00 0.00 N ATOM 715 CA ARG A 42 16.118 -3.999 1.668 1.00 0.00 C ATOM 716 C ARG A 42 16.993 -4.961 0.859 1.00 0.00 C ATOM 717 O ARG A 42 16.512 -5.679 0.004 1.00 0.00 O ATOM 718 CB ARG A 42 15.612 -4.676 2.943 1.00 0.00 C ATOM 719 CG ARG A 42 14.856 -3.657 3.799 1.00 0.00 C ATOM 720 CD ARG A 42 13.617 -4.319 4.407 1.00 0.00 C ATOM 721 NE ARG A 42 14.149 -5.425 5.254 1.00 0.00 N ATOM 722 CZ ARG A 42 13.352 -6.113 6.039 1.00 0.00 C ATOM 723 NH1 ARG A 42 12.072 -5.841 6.105 1.00 0.00 N ATOM 724 NH2 ARG A 42 13.843 -7.081 6.765 1.00 0.00 N ATOM 0 H ARG A 42 14.101 -4.280 1.054 1.00 0.00 H new ATOM 0 HA ARG A 42 16.725 -3.122 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.957 -5.510 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.450 -5.088 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.504 -3.279 4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.563 -2.802 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.041 -3.609 5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.952 -4.700 3.632 1.00 0.00 H new ATOM 0 HE ARG A 42 15.143 -5.650 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.681 -5.086 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.466 -6.385 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.839 -7.298 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.231 -7.620 7.377 1.00 0.00 H new ATOM 738 N LYS A 43 18.271 -4.982 1.118 1.00 0.00 N ATOM 739 CA LYS A 43 19.167 -5.900 0.359 1.00 0.00 C ATOM 740 C LYS A 43 19.679 -7.018 1.271 1.00 0.00 C ATOM 741 O LYS A 43 20.862 -7.294 1.326 1.00 0.00 O ATOM 742 CB LYS A 43 20.327 -5.021 -0.110 1.00 0.00 C ATOM 743 CG LYS A 43 20.337 -4.958 -1.640 1.00 0.00 C ATOM 744 CD LYS A 43 21.408 -5.906 -2.182 1.00 0.00 C ATOM 745 CE LYS A 43 20.756 -6.951 -3.090 1.00 0.00 C ATOM 746 NZ LYS A 43 21.242 -6.626 -4.460 1.00 0.00 N ATOM 0 H LYS A 43 18.733 -4.405 1.821 1.00 0.00 H new ATOM 0 HA LYS A 43 18.654 -6.380 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.227 -4.018 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.272 -5.424 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.359 -5.235 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.537 -3.939 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.158 -5.344 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.924 -6.397 -1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.043 -7.961 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.669 -6.900 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.838 -7.300 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 20.948 -5.661 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 22.280 -6.690 -4.484 1.00 0.00 H new ATOM 760 N THR A 44 18.802 -7.666 1.991 1.00 0.00 N ATOM 761 CA THR A 44 19.253 -8.762 2.897 1.00 0.00 C ATOM 762 C THR A 44 18.160 -9.825 3.051 1.00 0.00 C ATOM 763 O THR A 44 18.432 -11.010 3.055 1.00 0.00 O ATOM 764 CB THR A 44 19.529 -8.079 4.239 1.00 0.00 C ATOM 765 OG1 THR A 44 19.930 -9.055 5.190 1.00 0.00 O ATOM 766 CG2 THR A 44 18.261 -7.377 4.729 1.00 0.00 C ATOM 0 H THR A 44 17.798 -7.485 1.991 1.00 0.00 H new ATOM 0 HA THR A 44 20.132 -9.275 2.508 1.00 0.00 H new ATOM 0 HB THR A 44 20.323 -7.342 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.109 -8.620 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.460 -6.892 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.954 -6.628 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.464 -8.110 4.854 1.00 0.00 H new ATOM 774 N THR A 45 16.927 -9.417 3.186 1.00 0.00 N ATOM 775 CA THR A 45 15.827 -10.414 3.349 1.00 0.00 C ATOM 776 C THR A 45 14.937 -10.448 2.100 1.00 0.00 C ATOM 777 O THR A 45 14.825 -9.464 1.396 1.00 0.00 O ATOM 778 CB THR A 45 15.025 -9.934 4.563 1.00 0.00 C ATOM 779 OG1 THR A 45 13.868 -10.744 4.714 1.00 0.00 O ATOM 780 CG2 THR A 45 14.604 -8.477 4.362 1.00 0.00 C ATOM 0 H THR A 45 16.633 -8.440 3.191 1.00 0.00 H new ATOM 0 HA THR A 45 16.214 -11.424 3.487 1.00 0.00 H new ATOM 0 HB THR A 45 15.644 -10.009 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.355 -10.439 5.491 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.034 -8.140 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.491 -7.854 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.986 -8.397 3.467 1.00 0.00 H new ATOM 788 N PRO A 46 14.324 -11.587 1.866 1.00 0.00 N ATOM 789 CA PRO A 46 13.432 -11.738 0.692 1.00 0.00 C ATOM 790 C PRO A 46 12.096 -11.037 0.950 1.00 0.00 C ATOM 791 O PRO A 46 11.616 -10.274 0.136 1.00 0.00 O ATOM 792 CB PRO A 46 13.235 -13.247 0.581 1.00 0.00 C ATOM 793 CG PRO A 46 13.466 -13.775 1.962 1.00 0.00 C ATOM 794 CD PRO A 46 14.405 -12.823 2.659 1.00 0.00 C ATOM 0 HA PRO A 46 13.842 -11.299 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.232 -13.488 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.936 -13.684 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.524 -13.852 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.894 -14.777 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.104 -12.653 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.422 -13.214 2.683 1.00 0.00 H new ATOM 802 N ASP A 47 11.492 -11.291 2.081 1.00 0.00 N ATOM 803 CA ASP A 47 10.186 -10.640 2.393 1.00 0.00 C ATOM 804 C ASP A 47 10.411 -9.193 2.842 1.00 0.00 C ATOM 805 O ASP A 47 10.848 -8.938 3.946 1.00 0.00 O ATOM 806 CB ASP A 47 9.593 -11.467 3.534 1.00 0.00 C ATOM 807 CG ASP A 47 9.045 -12.782 2.978 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.844 -13.656 2.681 1.00 0.00 O ATOM 809 OD2 ASP A 47 7.836 -12.895 2.862 1.00 0.00 O ATOM 0 H ASP A 47 11.846 -11.920 2.801 1.00 0.00 H new ATOM 0 HA ASP A 47 9.525 -10.606 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.355 -11.668 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.797 -10.908 4.027 1.00 0.00 H new ATOM 814 N TRP A 48 10.116 -8.247 1.995 1.00 0.00 N ATOM 815 CA TRP A 48 10.316 -6.815 2.378 1.00 0.00 C ATOM 816 C TRP A 48 9.029 -6.017 2.167 1.00 0.00 C ATOM 817 O TRP A 48 9.048 -4.804 2.111 1.00 0.00 O ATOM 818 CB TRP A 48 11.432 -6.266 1.466 1.00 0.00 C ATOM 819 CG TRP A 48 11.351 -6.850 0.082 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.287 -7.654 -0.468 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.310 -6.687 -0.928 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.885 -8.008 -1.743 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.674 -7.436 -2.073 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.100 -5.975 -0.964 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.866 -7.477 -3.210 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.286 -6.013 -2.105 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.667 -6.762 -3.226 1.00 0.00 C ATOM 0 H TRP A 48 9.746 -8.399 1.057 1.00 0.00 H new ATOM 0 HA TRP A 48 10.585 -6.730 3.431 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.355 -5.180 1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.405 -6.494 1.902 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.202 -7.970 0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.418 -8.617 -2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.794 -5.394 -0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.166 -8.057 -4.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.358 -5.461 -2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.034 -6.786 -4.101 1.00 0.00 H new ATOM 838 N LEU A 49 7.910 -6.677 2.041 1.00 0.00 N ATOM 839 CA LEU A 49 6.636 -5.931 1.825 1.00 0.00 C ATOM 840 C LEU A 49 5.632 -6.229 2.935 1.00 0.00 C ATOM 841 O LEU A 49 5.366 -7.368 3.263 1.00 0.00 O ATOM 842 CB LEU A 49 6.100 -6.428 0.483 1.00 0.00 C ATOM 843 CG LEU A 49 5.238 -5.336 -0.154 1.00 0.00 C ATOM 844 CD1 LEU A 49 6.111 -4.137 -0.522 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.566 -5.887 -1.412 1.00 0.00 C ATOM 0 H LEU A 49 7.822 -7.693 2.078 1.00 0.00 H new ATOM 0 HA LEU A 49 6.799 -4.853 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.927 -6.686 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.511 -7.334 0.627 1.00 0.00 H new ATOM 0 HG LEU A 49 4.475 -5.018 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.493 -3.362 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.586 -3.743 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.878 -4.449 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.952 -5.110 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.329 -6.208 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.938 -6.737 -1.146 1.00 0.00 H new ATOM 857 N LYS A 50 5.060 -5.206 3.501 1.00 0.00 N ATOM 858 CA LYS A 50 4.055 -5.407 4.578 1.00 0.00 C ATOM 859 C LYS A 50 2.792 -4.617 4.234 1.00 0.00 C ATOM 860 O LYS A 50 2.682 -3.446 4.542 1.00 0.00 O ATOM 861 CB LYS A 50 4.712 -4.854 5.843 1.00 0.00 C ATOM 862 CG LYS A 50 4.067 -5.490 7.074 1.00 0.00 C ATOM 863 CD LYS A 50 5.085 -5.533 8.215 1.00 0.00 C ATOM 864 CE LYS A 50 4.500 -6.317 9.393 1.00 0.00 C ATOM 865 NZ LYS A 50 4.697 -7.749 9.037 1.00 0.00 N ATOM 0 H LYS A 50 5.247 -4.232 3.262 1.00 0.00 H new ATOM 0 HA LYS A 50 3.767 -6.451 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.782 -5.063 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.600 -3.770 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.190 -4.917 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.724 -6.498 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.008 -6.002 7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.339 -4.520 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.008 -6.068 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.444 -6.087 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.815 -8.273 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.958 -7.824 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.456 -8.151 9.623 1.00 0.00 H new ATOM 879 N VAL A 51 1.844 -5.233 3.579 1.00 0.00 N ATOM 880 CA VAL A 51 0.611 -4.485 3.210 1.00 0.00 C ATOM 881 C VAL A 51 -0.617 -5.061 3.910 1.00 0.00 C ATOM 882 O VAL A 51 -0.739 -6.252 4.122 1.00 0.00 O ATOM 883 CB VAL A 51 0.486 -4.619 1.669 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.974 -4.845 1.229 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.965 -3.333 1.012 1.00 0.00 C ATOM 0 H VAL A 51 1.870 -6.210 3.287 1.00 0.00 H new ATOM 0 HA VAL A 51 0.672 -3.442 3.519 1.00 0.00 H new ATOM 0 HB VAL A 51 1.088 -5.476 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.017 -4.933 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.353 -5.760 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.585 -4.001 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.879 -3.424 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.354 -2.499 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.006 -3.154 1.279 1.00 0.00 H new ATOM 895 N ASP A 52 -1.559 -4.213 4.185 1.00 0.00 N ATOM 896 CA ASP A 52 -2.828 -4.678 4.776 1.00 0.00 C ATOM 897 C ASP A 52 -3.773 -4.914 3.603 1.00 0.00 C ATOM 898 O ASP A 52 -4.718 -4.178 3.410 1.00 0.00 O ATOM 899 CB ASP A 52 -3.318 -3.524 5.654 1.00 0.00 C ATOM 900 CG ASP A 52 -4.138 -4.077 6.821 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.021 -4.881 6.571 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.871 -3.685 7.945 1.00 0.00 O ATOM 0 H ASP A 52 -1.500 -3.208 4.023 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.749 -5.589 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.468 -2.955 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.925 -2.837 5.064 1.00 0.00 H new ATOM 907 N VAL A 53 -3.463 -5.905 2.785 1.00 0.00 N ATOM 908 CA VAL A 53 -4.279 -6.209 1.553 1.00 0.00 C ATOM 909 C VAL A 53 -5.764 -5.876 1.760 1.00 0.00 C ATOM 910 O VAL A 53 -6.432 -5.452 0.843 1.00 0.00 O ATOM 911 CB VAL A 53 -4.039 -7.714 1.205 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.668 -8.542 2.440 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.288 -8.335 0.558 1.00 0.00 C ATOM 0 H VAL A 53 -2.665 -6.526 2.923 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.966 -5.584 0.716 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.204 -7.735 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.511 -9.580 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.753 -8.147 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.476 -8.488 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.095 -9.382 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.128 -8.266 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.528 -7.798 -0.360 1.00 0.00 H new ATOM 923 N GLU A 54 -6.279 -6.034 2.946 1.00 0.00 N ATOM 924 CA GLU A 54 -7.705 -5.683 3.161 1.00 0.00 C ATOM 925 C GLU A 54 -7.905 -4.201 2.848 1.00 0.00 C ATOM 926 O GLU A 54 -8.739 -3.834 2.044 1.00 0.00 O ATOM 927 CB GLU A 54 -7.987 -5.984 4.632 1.00 0.00 C ATOM 928 CG GLU A 54 -9.344 -6.678 4.757 1.00 0.00 C ATOM 929 CD GLU A 54 -10.411 -5.650 5.136 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.552 -4.677 4.414 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.070 -5.854 6.142 1.00 0.00 O ATOM 0 H GLU A 54 -5.781 -6.386 3.764 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.382 -6.246 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.202 -6.620 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.984 -5.060 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.606 -7.159 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.295 -7.462 5.513 1.00 0.00 H new ATOM 938 N ARG A 55 -7.128 -3.349 3.454 1.00 0.00 N ATOM 939 CA ARG A 55 -7.258 -1.897 3.161 1.00 0.00 C ATOM 940 C ARG A 55 -6.714 -1.631 1.761 1.00 0.00 C ATOM 941 O ARG A 55 -7.298 -0.909 0.983 1.00 0.00 O ATOM 942 CB ARG A 55 -6.406 -1.181 4.206 1.00 0.00 C ATOM 943 CG ARG A 55 -7.073 -1.284 5.577 1.00 0.00 C ATOM 944 CD ARG A 55 -8.379 -0.483 5.584 1.00 0.00 C ATOM 945 NE ARG A 55 -7.977 0.923 5.283 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.882 1.863 5.132 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.160 1.591 5.232 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.504 3.086 4.878 1.00 0.00 N ATOM 0 H ARG A 55 -6.411 -3.594 4.137 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.292 -1.553 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.410 -1.623 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.280 -0.134 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.276 -2.328 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.401 -0.906 6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.077 -0.861 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.878 -0.552 6.551 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.988 1.156 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.465 0.638 5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.850 2.332 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.511 3.307 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.201 3.821 4.760 1.00 0.00 H new ATOM 962 N ALA A 56 -5.615 -2.240 1.418 1.00 0.00 N ATOM 963 CA ALA A 56 -5.068 -2.047 0.059 1.00 0.00 C ATOM 964 C ALA A 56 -6.102 -2.571 -0.942 1.00 0.00 C ATOM 965 O ALA A 56 -6.096 -2.216 -2.105 1.00 0.00 O ATOM 966 CB ALA A 56 -3.756 -2.844 0.041 1.00 0.00 C ATOM 0 H ALA A 56 -5.077 -2.861 2.022 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.868 -1.009 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.287 -2.751 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.083 -2.454 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.965 -3.894 0.244 1.00 0.00 H new ATOM 972 N ARG A 57 -7.024 -3.392 -0.481 1.00 0.00 N ATOM 973 CA ARG A 57 -8.079 -3.905 -1.384 1.00 0.00 C ATOM 974 C ARG A 57 -9.266 -2.929 -1.393 1.00 0.00 C ATOM 975 O ARG A 57 -9.988 -2.821 -2.364 1.00 0.00 O ATOM 976 CB ARG A 57 -8.494 -5.258 -0.802 1.00 0.00 C ATOM 977 CG ARG A 57 -9.718 -5.793 -1.552 1.00 0.00 C ATOM 978 CD ARG A 57 -9.552 -7.295 -1.799 1.00 0.00 C ATOM 979 NE ARG A 57 -10.609 -7.639 -2.794 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.863 -7.767 -2.427 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.223 -7.588 -1.180 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.765 -8.074 -3.318 1.00 0.00 N ATOM 0 H ARG A 57 -7.080 -3.721 0.483 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.733 -4.007 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.669 -5.966 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.723 -5.153 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.622 -5.607 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.834 -5.269 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.558 -7.525 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.677 -7.863 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.354 -7.777 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.525 -7.345 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.202 -7.691 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.494 -8.213 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.741 -8.175 -3.041 1.00 0.00 H new ATOM 996 N TYR A 58 -9.449 -2.198 -0.321 1.00 0.00 N ATOM 997 CA TYR A 58 -10.557 -1.205 -0.257 1.00 0.00 C ATOM 998 C TYR A 58 -10.348 -0.216 -1.379 1.00 0.00 C ATOM 999 O TYR A 58 -11.246 0.174 -2.099 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.359 -0.505 1.096 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.043 0.854 1.123 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.254 1.046 0.447 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.458 1.922 1.822 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.882 2.296 0.470 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.089 3.173 1.844 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.300 3.360 1.168 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.920 4.592 1.191 1.00 0.00 O ATOM 0 H TYR A 58 -8.871 -2.250 0.518 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.551 -1.641 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.759 -1.131 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.294 -0.382 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.705 0.227 -0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.522 1.779 2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.817 2.440 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.640 3.994 2.383 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.384 5.218 1.721 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.139 0.196 -1.486 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.758 1.180 -2.509 1.00 0.00 C ATOM 1019 C TRP A 59 -8.911 0.565 -3.884 1.00 0.00 C ATOM 1020 O TRP A 59 -9.633 1.064 -4.722 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.324 1.522 -2.141 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.422 2.241 -0.844 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.929 1.837 0.349 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.147 3.460 -0.598 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.277 2.777 1.308 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.033 3.799 0.765 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.872 4.303 -1.444 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.631 4.949 1.278 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.479 5.460 -0.939 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.358 5.785 0.420 1.00 0.00 C ATOM 0 H TRP A 59 -8.372 -0.116 -0.890 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.374 2.078 -2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.715 0.623 -2.049 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.858 2.146 -2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.361 0.936 0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.009 2.721 2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.965 4.061 -2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.535 5.193 2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.042 6.104 -1.598 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.825 6.679 0.805 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.289 -0.546 -4.109 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.461 -1.222 -5.422 1.00 0.00 C ATOM 1043 C LEU A 60 -9.961 -1.456 -5.658 1.00 0.00 C ATOM 1044 O LEU A 60 -10.406 -1.621 -6.776 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.718 -2.552 -5.294 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.270 -2.373 -5.746 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.427 -3.542 -5.231 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.217 -2.342 -7.274 1.00 0.00 C ATOM 0 H LEU A 60 -7.671 -1.018 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.076 -0.638 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.747 -2.899 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.208 -3.314 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.876 -1.438 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.393 -3.415 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.467 -3.568 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.819 -4.477 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.185 -2.214 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.610 -3.278 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.819 -1.511 -7.642 1.00 0.00 H new ATOM 1060 N SER A 61 -10.743 -1.463 -4.601 1.00 0.00 N ATOM 1061 CA SER A 61 -12.207 -1.677 -4.757 1.00 0.00 C ATOM 1062 C SER A 61 -12.909 -0.363 -5.130 1.00 0.00 C ATOM 1063 O SER A 61 -14.001 -0.370 -5.662 1.00 0.00 O ATOM 1064 CB SER A 61 -12.691 -2.174 -3.395 1.00 0.00 C ATOM 1065 OG SER A 61 -14.020 -2.664 -3.520 1.00 0.00 O ATOM 0 H SER A 61 -10.424 -1.329 -3.641 1.00 0.00 H new ATOM 0 HA SER A 61 -12.429 -2.389 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.033 -2.962 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.656 -1.364 -2.666 1.00 0.00 H new ATOM 0 HG SER A 61 -14.334 -2.985 -2.649 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.298 0.764 -4.862 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.949 2.051 -5.214 1.00 0.00 C ATOM 1073 C VAL A 62 -12.369 2.573 -6.530 1.00 0.00 C ATOM 1074 O VAL A 62 -12.262 3.763 -6.754 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.650 3.016 -4.051 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.958 2.343 -2.710 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.178 3.449 -4.068 1.00 0.00 C ATOM 0 H VAL A 62 -11.383 0.843 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.025 1.944 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.283 3.895 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.742 3.036 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.011 2.062 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.341 1.451 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.989 4.130 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.539 2.571 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.958 3.954 -5.009 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.997 1.679 -7.394 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.419 2.092 -8.703 1.00 0.00 C ATOM 1089 C GLY A 63 -10.026 2.689 -8.490 1.00 0.00 C ATOM 1090 O GLY A 63 -9.572 3.508 -9.265 1.00 0.00 O ATOM 0 H GLY A 63 -12.068 0.671 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.358 1.233 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.069 2.824 -9.183 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.338 2.289 -7.452 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.977 2.841 -7.212 1.00 0.00 C ATOM 1096 C ALA A 64 -7.022 2.351 -8.299 1.00 0.00 C ATOM 1097 O ALA A 64 -7.106 1.227 -8.750 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.554 2.298 -5.848 1.00 0.00 C ATOM 0 H ALA A 64 -9.660 1.607 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.964 3.931 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.557 2.664 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.260 2.633 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.543 1.208 -5.878 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.120 3.185 -8.728 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.168 2.760 -9.792 1.00 0.00 C ATOM 1106 C GLN A 65 -3.748 2.621 -9.224 1.00 0.00 C ATOM 1107 O GLN A 65 -3.114 3.607 -8.905 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.223 3.876 -10.834 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.941 3.365 -12.082 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.384 4.070 -13.318 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.206 4.359 -13.387 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.187 4.359 -14.304 1.00 0.00 N ATOM 0 H GLN A 65 -5.999 4.140 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.430 1.790 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.746 4.742 -10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.214 4.202 -11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.808 2.287 -12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.012 3.548 -11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.176 4.116 -14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.826 4.828 -15.135 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.287 1.396 -9.120 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.923 1.150 -8.598 1.00 0.00 C ATOM 1123 C PRO A 66 -0.891 1.389 -9.707 1.00 0.00 C ATOM 1124 O PRO A 66 -0.973 0.815 -10.775 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.956 -0.319 -8.194 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.021 -0.944 -9.043 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.977 0.146 -9.465 1.00 0.00 C ATOM 0 HA PRO A 66 -1.648 1.805 -7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.990 -0.794 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.184 -0.429 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.580 -1.424 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.548 -1.719 -8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.192 0.093 -10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.930 0.062 -8.943 1.00 0.00 H new ATOM 1135 N THR A 67 0.077 2.231 -9.469 1.00 0.00 N ATOM 1136 CA THR A 67 1.105 2.501 -10.519 1.00 0.00 C ATOM 1137 C THR A 67 1.790 1.198 -10.949 1.00 0.00 C ATOM 1138 O THR A 67 1.506 0.136 -10.426 1.00 0.00 O ATOM 1139 CB THR A 67 2.113 3.445 -9.853 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.064 3.873 -10.816 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.831 2.718 -8.711 1.00 0.00 C ATOM 0 H THR A 67 0.202 2.743 -8.596 1.00 0.00 H new ATOM 0 HA THR A 67 0.668 2.936 -11.418 1.00 0.00 H new ATOM 0 HB THR A 67 1.586 4.310 -9.450 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.708 4.478 -10.393 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.546 3.394 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.100 2.392 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.358 1.850 -9.107 1.00 0.00 H new ATOM 1149 N ASP A 68 2.704 1.269 -11.884 1.00 0.00 N ATOM 1150 CA ASP A 68 3.419 0.034 -12.331 1.00 0.00 C ATOM 1151 C ASP A 68 4.509 -0.330 -11.317 1.00 0.00 C ATOM 1152 O ASP A 68 5.665 -0.488 -11.655 1.00 0.00 O ATOM 1153 CB ASP A 68 4.040 0.397 -13.681 1.00 0.00 C ATOM 1154 CG ASP A 68 3.004 0.202 -14.790 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.827 0.361 -14.509 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.405 -0.102 -15.901 1.00 0.00 O ATOM 0 H ASP A 68 2.986 2.128 -12.357 1.00 0.00 H new ATOM 0 HA ASP A 68 2.754 -0.826 -12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.384 1.431 -13.668 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.913 -0.227 -13.871 1.00 0.00 H new ATOM 1161 N THR A 69 4.134 -0.461 -10.074 1.00 0.00 N ATOM 1162 CA THR A 69 5.106 -0.807 -9.003 1.00 0.00 C ATOM 1163 C THR A 69 4.319 -1.232 -7.769 1.00 0.00 C ATOM 1164 O THR A 69 4.440 -2.340 -7.284 1.00 0.00 O ATOM 1165 CB THR A 69 5.855 0.481 -8.714 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.348 1.037 -9.926 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.017 0.204 -7.759 1.00 0.00 C ATOM 0 H THR A 69 3.174 -0.340 -9.751 1.00 0.00 H new ATOM 0 HA THR A 69 5.785 -1.612 -9.284 1.00 0.00 H new ATOM 0 HB THR A 69 5.173 1.192 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.663 0.317 -10.512 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.550 1.133 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.631 -0.205 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.699 -0.514 -8.215 1.00 0.00 H new ATOM 1175 N ALA A 70 3.479 -0.358 -7.283 1.00 0.00 N ATOM 1176 CA ALA A 70 2.643 -0.701 -6.115 1.00 0.00 C ATOM 1177 C ALA A 70 1.673 -1.793 -6.542 1.00 0.00 C ATOM 1178 O ALA A 70 1.200 -2.573 -5.739 1.00 0.00 O ATOM 1179 CB ALA A 70 1.899 0.584 -5.755 1.00 0.00 C ATOM 0 H ALA A 70 3.341 0.583 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 70 3.214 -1.065 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.257 0.403 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.619 1.366 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.290 0.901 -6.601 1.00 0.00 H new ATOM 1185 N ARG A 71 1.401 -1.876 -7.821 1.00 0.00 N ATOM 1186 CA ARG A 71 0.504 -2.933 -8.308 1.00 0.00 C ATOM 1187 C ARG A 71 1.237 -4.251 -8.147 1.00 0.00 C ATOM 1188 O ARG A 71 0.684 -5.240 -7.710 1.00 0.00 O ATOM 1189 CB ARG A 71 0.266 -2.624 -9.787 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.700 -3.651 -10.376 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.887 -3.372 -11.869 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.328 -3.018 -12.016 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.889 -2.960 -13.201 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.201 -3.220 -14.285 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.149 -2.638 -13.300 1.00 0.00 N ATOM 0 H ARG A 71 1.768 -1.251 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.444 -2.986 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.143 -1.620 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.211 -2.645 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.312 -4.659 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.660 -3.601 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.244 -2.557 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.632 -4.245 -12.469 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.885 -2.818 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.215 -3.472 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.651 -3.171 -15.199 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.691 -2.434 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.593 -2.591 -14.217 1.00 0.00 H new ATOM 1209 N ARG A 72 2.503 -4.255 -8.471 1.00 0.00 N ATOM 1210 CA ARG A 72 3.290 -5.496 -8.312 1.00 0.00 C ATOM 1211 C ARG A 72 3.382 -5.824 -6.826 1.00 0.00 C ATOM 1212 O ARG A 72 3.238 -6.958 -6.414 1.00 0.00 O ATOM 1213 CB ARG A 72 4.668 -5.185 -8.896 1.00 0.00 C ATOM 1214 CG ARG A 72 4.894 -6.048 -10.139 1.00 0.00 C ATOM 1215 CD ARG A 72 6.049 -5.475 -10.963 1.00 0.00 C ATOM 1216 NE ARG A 72 5.935 -6.141 -12.293 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.643 -5.726 -13.317 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.471 -4.719 -13.200 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.520 -6.328 -14.469 1.00 0.00 N ATOM 0 H ARG A 72 3.017 -3.453 -8.836 1.00 0.00 H new ATOM 0 HA ARG A 72 2.845 -6.354 -8.815 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.736 -4.128 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.443 -5.383 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.118 -7.074 -9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.986 -6.080 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.970 -4.392 -11.055 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.011 -5.686 -10.496 1.00 0.00 H new ATOM 0 HE ARG A 72 5.298 -6.929 -12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.573 -4.244 -12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.014 -4.409 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.878 -7.114 -14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.066 -6.012 -15.270 1.00 0.00 H new ATOM 1233 N LEU A 73 3.592 -4.823 -6.015 1.00 0.00 N ATOM 1234 CA LEU A 73 3.661 -5.050 -4.558 1.00 0.00 C ATOM 1235 C LEU A 73 2.264 -5.403 -4.065 1.00 0.00 C ATOM 1236 O LEU A 73 2.096 -6.134 -3.113 1.00 0.00 O ATOM 1237 CB LEU A 73 4.148 -3.731 -3.954 1.00 0.00 C ATOM 1238 CG LEU A 73 5.465 -3.313 -4.614 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.669 -1.807 -4.438 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.630 -4.061 -3.964 1.00 0.00 C ATOM 0 H LEU A 73 3.719 -3.854 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 73 4.331 -5.863 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.396 -2.955 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.289 -3.843 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 73 5.427 -3.556 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.606 -1.509 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.843 -1.271 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.703 -1.566 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.565 -3.760 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.668 -3.822 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.489 -5.134 -4.090 1.00 0.00 H new ATOM 1252 N LEU A 74 1.254 -4.921 -4.741 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.127 -5.274 -4.344 1.00 0.00 C ATOM 1254 C LEU A 74 -0.321 -6.756 -4.656 1.00 0.00 C ATOM 1255 O LEU A 74 -1.061 -7.459 -4.001 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.037 -4.405 -5.213 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.304 -3.079 -4.500 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.039 -2.128 -5.444 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.166 -3.330 -3.261 1.00 0.00 C ATOM 0 H LEU A 74 1.332 -4.301 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.341 -5.108 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.569 -4.223 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.977 -4.923 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.355 -2.633 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.228 -1.183 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.427 -1.947 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.987 -2.574 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.356 -2.385 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.113 -3.778 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.643 -4.007 -2.585 1.00 0.00 H new ATOM 1271 N ARG A 75 0.385 -7.230 -5.650 1.00 0.00 N ATOM 1272 CA ARG A 75 0.307 -8.660 -6.023 1.00 0.00 C ATOM 1273 C ARG A 75 1.184 -9.456 -5.066 1.00 0.00 C ATOM 1274 O ARG A 75 0.923 -10.603 -4.761 1.00 0.00 O ATOM 1275 CB ARG A 75 0.881 -8.725 -7.441 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.061 -9.516 -8.343 1.00 0.00 C ATOM 1277 CD ARG A 75 0.707 -10.656 -9.019 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.235 -11.812 -9.007 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.547 -12.413 -7.882 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.037 -12.017 -6.742 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.376 -13.421 -7.900 1.00 0.00 N ATOM 0 H ARG A 75 1.019 -6.673 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.704 -9.064 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.016 -7.718 -7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.864 -9.196 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.888 -9.919 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.495 -8.859 -9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.994 -10.390 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.625 -10.889 -8.479 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.642 -12.140 -9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.613 -11.231 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.290 -12.495 -5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.776 -13.736 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.624 -13.893 -7.030 1.00 0.00 H new ATOM 1295 N GLN A 76 2.232 -8.840 -4.593 1.00 0.00 N ATOM 1296 CA GLN A 76 3.147 -9.524 -3.661 1.00 0.00 C ATOM 1297 C GLN A 76 2.577 -9.485 -2.258 1.00 0.00 C ATOM 1298 O GLN A 76 2.766 -10.385 -1.464 1.00 0.00 O ATOM 1299 CB GLN A 76 4.435 -8.723 -3.759 1.00 0.00 C ATOM 1300 CG GLN A 76 5.617 -9.584 -3.320 1.00 0.00 C ATOM 1301 CD GLN A 76 6.489 -9.905 -4.533 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.700 -9.835 -4.463 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.920 -10.255 -5.653 1.00 0.00 N ATOM 0 H GLN A 76 2.489 -7.880 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 76 3.302 -10.576 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.584 -8.381 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.369 -7.834 -3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.203 -9.059 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.259 -10.506 -2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.903 -10.314 -5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.492 -10.470 -6.470 1.00 0.00 H new ATOM 1312 N ALA A 77 1.863 -8.455 -1.964 1.00 0.00 N ATOM 1313 CA ALA A 77 1.240 -8.336 -0.624 1.00 0.00 C ATOM 1314 C ALA A 77 0.100 -9.355 -0.481 1.00 0.00 C ATOM 1315 O ALA A 77 -0.471 -9.514 0.580 1.00 0.00 O ATOM 1316 CB ALA A 77 0.696 -6.910 -0.571 1.00 0.00 C ATOM 0 H ALA A 77 1.678 -7.677 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 77 1.945 -8.534 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.217 -6.739 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.516 -6.203 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.033 -6.769 -1.369 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.238 -10.044 -1.544 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.339 -11.045 -1.473 1.00 0.00 C ATOM 1324 C GLY A 78 -2.682 -10.324 -1.572 1.00 0.00 C ATOM 1325 O GLY A 78 -3.574 -10.548 -0.778 1.00 0.00 O ATOM 0 H GLY A 78 0.205 -9.953 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.241 -11.769 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.280 -11.602 -0.538 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.833 -9.449 -2.531 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.116 -8.713 -2.659 1.00 0.00 C ATOM 1331 C VAL A 79 -4.999 -9.313 -3.757 1.00 0.00 C ATOM 1332 O VAL A 79 -6.093 -9.775 -3.499 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.724 -7.285 -3.010 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.980 -6.419 -3.099 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.795 -6.726 -1.928 1.00 0.00 C ATOM 0 H VAL A 79 -2.124 -9.216 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.698 -8.767 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.207 -7.278 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.700 -5.396 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.641 -6.814 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.497 -6.428 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.515 -5.703 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.309 -6.734 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.898 -7.342 -1.865 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.546 -9.297 -4.981 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.381 -9.856 -6.087 1.00 0.00 C ATOM 1347 C PHE A 80 -5.828 -11.280 -5.745 1.00 0.00 C ATOM 1348 O PHE A 80 -5.112 -12.237 -5.969 1.00 0.00 O ATOM 1349 CB PHE A 80 -4.480 -9.863 -7.330 1.00 0.00 C ATOM 1350 CG PHE A 80 -3.839 -8.502 -7.566 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -4.311 -7.346 -6.916 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -2.756 -8.404 -8.448 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -3.697 -6.110 -7.150 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -2.147 -7.168 -8.680 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.614 -6.023 -8.033 1.00 0.00 C ATOM 0 H PHE A 80 -3.640 -8.924 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.282 -9.264 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.702 -10.617 -7.211 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.067 -10.146 -8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.148 -7.413 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.390 -9.287 -8.951 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.059 -5.224 -6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.312 -7.099 -9.362 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.140 -5.070 -8.214 1.00 0.00 H new ATOM 1365 N ARG A 81 -7.006 -11.427 -5.204 1.00 0.00 N ATOM 1366 CA ARG A 81 -7.501 -12.786 -4.847 1.00 0.00 C ATOM 1367 C ARG A 81 -9.032 -12.810 -4.859 1.00 0.00 C ATOM 1368 O ARG A 81 -9.673 -11.916 -5.377 1.00 0.00 O ATOM 1369 CB ARG A 81 -6.969 -13.045 -3.436 1.00 0.00 C ATOM 1370 CG ARG A 81 -5.494 -13.438 -3.512 1.00 0.00 C ATOM 1371 CD ARG A 81 -5.057 -14.045 -2.178 1.00 0.00 C ATOM 1372 NE ARG A 81 -3.573 -13.892 -2.153 1.00 0.00 N ATOM 1373 CZ ARG A 81 -2.852 -14.479 -1.227 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -3.415 -15.220 -0.305 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -1.556 -14.324 -1.229 1.00 0.00 N ATOM 0 H ARG A 81 -7.648 -10.663 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.167 -13.547 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.087 -12.152 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.544 -13.839 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.339 -14.155 -4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.885 -12.564 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.521 -13.528 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.347 -15.093 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.113 -13.324 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.427 -15.347 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.841 -15.670 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.112 -13.751 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.987 -14.776 -0.513 1.00 0.00 H new ATOM 1389 N GLN A 82 -9.625 -13.827 -4.296 1.00 0.00 N ATOM 1390 CA GLN A 82 -11.114 -13.907 -4.278 1.00 0.00 C ATOM 1391 C GLN A 82 -11.616 -14.104 -2.845 1.00 0.00 C ATOM 1392 O GLN A 82 -12.199 -15.118 -2.516 1.00 0.00 O ATOM 1393 CB GLN A 82 -11.452 -15.125 -5.136 1.00 0.00 C ATOM 1394 CG GLN A 82 -11.437 -14.729 -6.615 1.00 0.00 C ATOM 1395 CD GLN A 82 -12.869 -14.486 -7.094 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -13.809 -15.012 -6.529 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -13.078 -13.708 -8.119 1.00 0.00 N ATOM 0 H GLN A 82 -9.143 -14.606 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.582 -12.998 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.731 -15.922 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -12.433 -15.514 -4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.838 -13.829 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.973 -15.517 -7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.290 -13.267 -8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.029 -13.541 -8.447 1.00 0.00 H new ATOM 1406 N GLU A 83 -11.394 -13.143 -1.990 1.00 0.00 N ATOM 1407 CA GLU A 83 -11.859 -13.278 -0.579 1.00 0.00 C ATOM 1408 C GLU A 83 -13.160 -12.495 -0.372 1.00 0.00 C ATOM 1409 O GLU A 83 -13.173 -11.449 0.246 1.00 0.00 O ATOM 1410 CB GLU A 83 -10.734 -12.680 0.267 1.00 0.00 C ATOM 1411 CG GLU A 83 -9.445 -13.473 0.038 1.00 0.00 C ATOM 1412 CD GLU A 83 -8.499 -13.267 1.222 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -8.432 -12.153 1.715 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -7.858 -14.227 1.617 1.00 0.00 O ATOM 0 H GLU A 83 -10.911 -12.271 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.066 -14.314 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.582 -11.634 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.006 -12.705 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.674 -14.532 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.965 -13.148 -0.885 1.00 0.00 H new ATOM 1421 N ALA A 84 -14.254 -12.992 -0.886 1.00 0.00 N ATOM 1422 CA ALA A 84 -15.549 -12.272 -0.717 1.00 0.00 C ATOM 1423 C ALA A 84 -16.564 -13.160 0.011 1.00 0.00 C ATOM 1424 O ALA A 84 -16.205 -14.109 0.680 1.00 0.00 O ATOM 1425 CB ALA A 84 -16.023 -11.967 -2.138 1.00 0.00 C ATOM 0 H ALA A 84 -14.306 -13.863 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.440 -11.366 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.974 -11.436 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.282 -11.347 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.151 -12.900 -2.687 1.00 0.00 H new ATOM 1431 N ARG A 85 -17.828 -12.857 -0.115 1.00 0.00 N ATOM 1432 CA ARG A 85 -18.868 -13.679 0.571 1.00 0.00 C ATOM 1433 C ARG A 85 -19.233 -14.901 -0.280 1.00 0.00 C ATOM 1434 O ARG A 85 -19.858 -15.830 0.192 1.00 0.00 O ATOM 1435 CB ARG A 85 -20.075 -12.749 0.716 1.00 0.00 C ATOM 1436 CG ARG A 85 -20.570 -12.776 2.165 1.00 0.00 C ATOM 1437 CD ARG A 85 -21.461 -14.002 2.381 1.00 0.00 C ATOM 1438 NE ARG A 85 -22.858 -13.489 2.265 1.00 0.00 N ATOM 1439 CZ ARG A 85 -23.868 -14.176 2.744 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -23.682 -15.340 3.317 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -25.077 -13.696 2.645 1.00 0.00 N ATOM 0 H ARG A 85 -18.186 -12.075 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 85 -18.523 -14.057 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -19.800 -11.733 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -20.872 -13.063 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -19.722 -12.805 2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -21.127 -11.866 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -21.260 -14.772 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -21.285 -14.451 3.359 1.00 0.00 H new ATOM 0 HE ARG A 85 -23.030 -12.593 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -22.741 -15.725 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -24.478 -15.861 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -25.232 -12.793 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -25.867 -14.224 3.015 1.00 0.00 H new ATOM 1455 N GLU A 86 -18.850 -14.912 -1.529 1.00 0.00 N ATOM 1456 CA GLU A 86 -19.179 -16.076 -2.396 1.00 0.00 C ATOM 1457 C GLU A 86 -18.495 -15.931 -3.758 1.00 0.00 C ATOM 1458 O GLU A 86 -17.782 -16.810 -4.201 1.00 0.00 O ATOM 1459 CB GLU A 86 -20.701 -16.042 -2.549 1.00 0.00 C ATOM 1460 CG GLU A 86 -21.319 -17.227 -1.803 1.00 0.00 C ATOM 1461 CD GLU A 86 -22.081 -18.111 -2.792 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -22.608 -17.573 -3.751 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -22.125 -19.310 -2.572 1.00 0.00 O ATOM 0 H GLU A 86 -18.324 -14.166 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.836 -17.019 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.095 -15.105 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.971 -16.083 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.539 -17.806 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.993 -16.869 -1.025 1.00 0.00 H new ATOM 1470 N GLY A 87 -18.703 -14.829 -4.424 1.00 0.00 N ATOM 1471 CA GLY A 87 -18.062 -14.631 -5.756 1.00 0.00 C ATOM 1472 C GLY A 87 -17.408 -13.251 -5.804 1.00 0.00 C ATOM 1473 O GLY A 87 -16.270 -13.077 -5.414 1.00 0.00 O ATOM 0 H GLY A 87 -19.288 -14.057 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.316 -15.406 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.806 -14.721 -6.547 1.00 0.00 H new ATOM 1477 N ALA A 88 -18.117 -12.264 -6.280 1.00 0.00 N ATOM 1478 CA ALA A 88 -17.536 -10.894 -6.354 1.00 0.00 C ATOM 1479 C ALA A 88 -18.537 -9.866 -5.819 1.00 0.00 C ATOM 1480 O ALA A 88 -18.106 -8.938 -5.155 1.00 0.00 O ATOM 1481 CB ALA A 88 -17.266 -10.659 -7.840 1.00 0.00 C ATOM 1482 OXT ALA A 88 -19.717 -10.026 -6.084 1.00 0.00 O ATOM 0 H ALA A 88 -19.075 -12.348 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 88 -16.630 -10.795 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.836 -9.667 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.568 -11.412 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.201 -10.730 -8.395 1.00 0.00 H new TER 1488 ALA A 88