USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 13 THR OG1 : rot 180:sc= 0.991 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -142:sc= 0.868 (180deg=-0.407) USER MOD Set 1.3: A 81 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -179:sc= 0.0184 (180deg=0) USER MOD Set 2.2: A 29 ASN : amide:sc= -2.6! C(o=-2.6!,f=-6.5!) USER MOD Single : A 2 LYS NZ :NH3+ 147:sc= -0.0329 (180deg=-0.584) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0968 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -110:sc= -0.365 (180deg=-1.43) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.97! X(o=-3!,f=-2.5) USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= -0.418 (180deg=-0.91) USER MOD Single : A 31 MET CE :methyl -155:sc= -2.4 (180deg=-3.87!) USER MOD Single : A 33 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-3.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 3:sc=-0.00026 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= 0.00832 F(o=-2,f=0.0083) USER MOD Single : A 44 LYS NZ :NH3+ 143:sc=-0.00827 (180deg=-0.579) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -157:sc= 0.497 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 20.219 -4.953 -7.761 1.00 0.00 N ATOM 18 CA LYS A 2 19.455 -5.040 -6.485 1.00 0.00 C ATOM 19 C LYS A 2 19.358 -3.659 -5.831 1.00 0.00 C ATOM 20 O LYS A 2 19.625 -3.498 -4.657 1.00 0.00 O ATOM 21 CB LYS A 2 20.263 -5.995 -5.605 1.00 0.00 C ATOM 22 CG LYS A 2 21.538 -5.297 -5.126 1.00 0.00 C ATOM 23 CD LYS A 2 22.594 -6.347 -4.771 1.00 0.00 C ATOM 24 CE LYS A 2 23.005 -6.187 -3.306 1.00 0.00 C ATOM 25 NZ LYS A 2 21.782 -6.515 -2.524 1.00 0.00 N ATOM 0 HA LYS A 2 18.434 -5.391 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.666 -6.311 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.517 -6.895 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.916 -4.634 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.321 -4.676 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.197 -7.348 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.464 -6.235 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.827 -6.856 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.345 -5.172 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.054 -6.967 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.253 -5.642 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.184 -7.166 -3.072 1.00 0.00 H new ATOM 39 N ALA A 3 18.976 -2.662 -6.582 1.00 0.00 N ATOM 40 CA ALA A 3 18.862 -1.292 -6.001 1.00 0.00 C ATOM 41 C ALA A 3 17.566 -1.169 -5.195 1.00 0.00 C ATOM 42 O ALA A 3 16.564 -1.773 -5.519 1.00 0.00 O ATOM 43 CB ALA A 3 18.836 -0.351 -7.206 1.00 0.00 C ATOM 0 H ALA A 3 18.738 -2.736 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 3 19.683 -1.060 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.753 0.680 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.755 -0.469 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.981 -0.592 -7.837 1.00 0.00 H new ATOM 49 N SER A 4 17.578 -0.391 -4.147 1.00 0.00 N ATOM 50 CA SER A 4 16.344 -0.233 -3.325 1.00 0.00 C ATOM 51 C SER A 4 15.217 0.370 -4.169 1.00 0.00 C ATOM 52 O SER A 4 15.342 0.520 -5.369 1.00 0.00 O ATOM 53 CB SER A 4 16.738 0.720 -2.198 1.00 0.00 C ATOM 54 OG SER A 4 17.824 1.531 -2.626 1.00 0.00 O ATOM 0 H SER A 4 18.387 0.141 -3.825 1.00 0.00 H new ATOM 0 HA SER A 4 15.978 -1.186 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.889 1.345 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.020 0.154 -1.310 1.00 0.00 H new ATOM 0 HG SER A 4 18.078 2.145 -1.905 1.00 0.00 H new ATOM 60 N CYS A 5 14.119 0.717 -3.554 1.00 0.00 N ATOM 61 CA CYS A 5 12.988 1.310 -4.327 1.00 0.00 C ATOM 62 C CYS A 5 12.780 2.774 -3.932 1.00 0.00 C ATOM 63 O CYS A 5 13.713 3.480 -3.604 1.00 0.00 O ATOM 64 CB CYS A 5 11.760 0.486 -3.938 1.00 0.00 C ATOM 65 SG CYS A 5 12.124 -1.279 -4.105 1.00 0.00 S ATOM 0 H CYS A 5 13.955 0.616 -2.552 1.00 0.00 H new ATOM 0 HA CYS A 5 13.177 1.289 -5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.471 0.711 -2.911 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.916 0.754 -4.573 1.00 0.00 H new ATOM 70 N LYS A 6 11.559 3.231 -3.960 1.00 0.00 N ATOM 71 CA LYS A 6 11.276 4.645 -3.585 1.00 0.00 C ATOM 72 C LYS A 6 9.817 4.786 -3.146 1.00 0.00 C ATOM 73 O LYS A 6 8.917 4.795 -3.962 1.00 0.00 O ATOM 74 CB LYS A 6 11.534 5.454 -4.856 1.00 0.00 C ATOM 75 CG LYS A 6 12.506 6.594 -4.548 1.00 0.00 C ATOM 76 CD LYS A 6 12.493 7.602 -5.698 1.00 0.00 C ATOM 77 CE LYS A 6 12.376 9.020 -5.135 1.00 0.00 C ATOM 78 NZ LYS A 6 12.687 9.914 -6.285 1.00 0.00 N ATOM 0 H LYS A 6 10.741 2.683 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 6 11.896 4.986 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.947 4.810 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.596 5.855 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.223 7.085 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.512 6.200 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.405 7.508 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.658 7.395 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.376 9.210 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.073 9.177 -4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.628 10.906 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.648 9.715 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.003 9.746 -7.050 1.00 0.00 H new ATOM 92 N LEU A 7 9.580 4.892 -1.863 1.00 0.00 N ATOM 93 CA LEU A 7 8.179 5.028 -1.359 1.00 0.00 C ATOM 94 C LEU A 7 7.349 5.908 -2.303 1.00 0.00 C ATOM 95 O LEU A 7 7.423 7.120 -2.238 1.00 0.00 O ATOM 96 CB LEU A 7 8.319 5.696 0.008 1.00 0.00 C ATOM 97 CG LEU A 7 9.202 6.936 -0.118 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.396 8.177 0.267 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.405 6.801 0.817 1.00 0.00 C ATOM 0 H LEU A 7 10.299 4.890 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 7 7.669 4.067 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.337 5.973 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.754 4.998 0.723 1.00 0.00 H new ATOM 0 HG LEU A 7 9.549 7.032 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.026 9.062 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.537 8.274 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.050 8.081 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.036 7.685 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.057 6.705 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.980 5.916 0.545 1.00 0.00 H new ATOM 111 N PRO A 8 6.582 5.270 -3.155 1.00 0.00 N ATOM 112 CA PRO A 8 5.734 6.011 -4.119 1.00 0.00 C ATOM 113 C PRO A 8 4.699 6.861 -3.378 1.00 0.00 C ATOM 114 O PRO A 8 4.100 7.758 -3.939 1.00 0.00 O ATOM 115 CB PRO A 8 5.056 4.885 -4.906 1.00 0.00 C ATOM 116 CG PRO A 8 5.541 3.531 -4.355 1.00 0.00 C ATOM 117 CD PRO A 8 6.519 3.789 -3.201 1.00 0.00 C ATOM 0 HA PRO A 8 6.291 6.703 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.972 4.962 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.296 4.968 -5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.694 2.940 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.029 2.956 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.158 3.369 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.497 3.347 -3.392 1.00 0.00 H new ATOM 125 N VAL A 9 4.479 6.584 -2.122 1.00 0.00 N ATOM 126 CA VAL A 9 3.477 7.373 -1.347 1.00 0.00 C ATOM 127 C VAL A 9 4.094 7.863 -0.033 1.00 0.00 C ATOM 128 O VAL A 9 5.146 7.412 0.375 1.00 0.00 O ATOM 129 CB VAL A 9 2.330 6.399 -1.069 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.072 7.186 -0.697 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.049 5.558 -2.318 1.00 0.00 C ATOM 0 H VAL A 9 4.949 5.846 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 9 3.138 8.255 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 9 2.610 5.742 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.254 6.493 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.266 7.782 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.798 7.844 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.232 4.866 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.772 6.214 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.943 4.995 -2.586 1.00 0.00 H new ATOM 141 N LYS A 10 3.451 8.785 0.631 1.00 0.00 N ATOM 142 CA LYS A 10 4.006 9.304 1.915 1.00 0.00 C ATOM 143 C LYS A 10 3.215 8.745 3.102 1.00 0.00 C ATOM 144 O LYS A 10 3.512 9.032 4.244 1.00 0.00 O ATOM 145 CB LYS A 10 3.845 10.822 1.831 1.00 0.00 C ATOM 146 CG LYS A 10 4.795 11.492 2.826 1.00 0.00 C ATOM 147 CD LYS A 10 4.157 12.779 3.357 1.00 0.00 C ATOM 148 CE LYS A 10 4.051 13.804 2.225 1.00 0.00 C ATOM 149 NZ LYS A 10 4.511 15.087 2.825 1.00 0.00 N ATOM 0 H LYS A 10 2.566 9.201 0.341 1.00 0.00 H new ATOM 0 HA LYS A 10 5.045 9.011 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.060 11.166 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.815 11.102 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.011 10.814 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.745 11.718 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.168 12.566 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.756 13.184 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.672 13.520 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.027 13.884 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.467 15.840 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.897 15.335 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.491 14.983 3.158 1.00 0.00 H new ATOM 163 N LYS A 11 2.213 7.950 2.843 1.00 0.00 N ATOM 164 CA LYS A 11 1.407 7.376 3.959 1.00 0.00 C ATOM 165 C LYS A 11 0.695 6.101 3.496 1.00 0.00 C ATOM 166 O LYS A 11 -0.496 5.946 3.675 1.00 0.00 O ATOM 167 CB LYS A 11 0.387 8.460 4.310 1.00 0.00 C ATOM 168 CG LYS A 11 0.853 9.221 5.553 1.00 0.00 C ATOM 169 CD LYS A 11 -0.086 10.401 5.813 1.00 0.00 C ATOM 170 CE LYS A 11 -1.470 9.880 6.208 1.00 0.00 C ATOM 171 NZ LYS A 11 -2.275 9.935 4.957 1.00 0.00 N ATOM 0 H LYS A 11 1.917 7.673 1.907 1.00 0.00 H new ATOM 0 HA LYS A 11 2.024 7.103 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.270 9.148 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.589 8.010 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.865 8.556 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.873 9.579 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.316 11.031 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.161 11.022 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.413 8.863 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.914 10.495 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.992 10.684 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.650 10.139 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.746 9.020 4.807 1.00 0.00 H new ATOM 185 N ALA A 12 1.415 5.192 2.899 1.00 0.00 N ATOM 186 CA ALA A 12 0.778 3.931 2.419 1.00 0.00 C ATOM 187 C ALA A 12 0.828 2.851 3.506 1.00 0.00 C ATOM 188 O ALA A 12 1.717 2.829 4.335 1.00 0.00 O ATOM 189 CB ALA A 12 1.608 3.506 1.207 1.00 0.00 C ATOM 0 H ALA A 12 2.417 5.267 2.722 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.273 4.075 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.202 2.582 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.572 4.289 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.642 3.344 1.513 1.00 0.00 H new ATOM 195 N THR A 13 -0.117 1.948 3.498 1.00 0.00 N ATOM 196 CA THR A 13 -0.128 0.856 4.515 1.00 0.00 C ATOM 197 C THR A 13 -0.085 -0.500 3.807 1.00 0.00 C ATOM 198 O THR A 13 -1.076 -0.967 3.280 1.00 0.00 O ATOM 199 CB THR A 13 -1.446 1.028 5.274 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.799 2.404 5.302 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.286 0.509 6.704 1.00 0.00 C ATOM 0 H THR A 13 -0.885 1.920 2.827 1.00 0.00 H new ATOM 0 HA THR A 13 0.729 0.900 5.188 1.00 0.00 H new ATOM 0 HB THR A 13 -2.231 0.462 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.644 2.515 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.225 0.632 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.017 -0.547 6.680 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.501 1.072 7.210 1.00 0.00 H new ATOM 209 N VAL A 14 1.059 -1.128 3.774 1.00 0.00 N ATOM 210 CA VAL A 14 1.166 -2.444 3.081 1.00 0.00 C ATOM 211 C VAL A 14 1.341 -3.581 4.091 1.00 0.00 C ATOM 212 O VAL A 14 1.363 -3.369 5.287 1.00 0.00 O ATOM 213 CB VAL A 14 2.409 -2.319 2.203 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.180 -1.237 1.146 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.608 -1.933 3.072 1.00 0.00 C ATOM 0 H VAL A 14 1.923 -0.788 4.196 1.00 0.00 H new ATOM 0 HA VAL A 14 0.270 -2.676 2.506 1.00 0.00 H new ATOM 0 HB VAL A 14 2.605 -3.272 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.067 -1.147 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.324 -1.508 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.985 -0.284 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.496 -1.843 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.411 -0.979 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.772 -2.701 3.828 1.00 0.00 H new ATOM 225 N VAL A 15 1.467 -4.790 3.611 1.00 0.00 N ATOM 226 CA VAL A 15 1.644 -5.951 4.530 1.00 0.00 C ATOM 227 C VAL A 15 2.898 -6.741 4.141 1.00 0.00 C ATOM 228 O VAL A 15 3.019 -7.228 3.035 1.00 0.00 O ATOM 229 CB VAL A 15 0.385 -6.803 4.337 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.648 -8.237 4.807 1.00 0.00 C ATOM 231 CG2 VAL A 15 -0.762 -6.206 5.157 1.00 0.00 C ATOM 0 H VAL A 15 1.455 -5.023 2.618 1.00 0.00 H new ATOM 0 HA VAL A 15 1.771 -5.645 5.569 1.00 0.00 H new ATOM 0 HB VAL A 15 0.119 -6.814 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.251 -8.837 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.464 -8.666 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.918 -8.230 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.659 -6.810 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.488 -6.195 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.957 -5.187 4.822 1.00 0.00 H new ATOM 241 N TYR A 16 3.831 -6.871 5.042 1.00 0.00 N ATOM 242 CA TYR A 16 5.074 -7.628 4.727 1.00 0.00 C ATOM 243 C TYR A 16 4.930 -9.090 5.161 1.00 0.00 C ATOM 244 O TYR A 16 5.428 -9.493 6.192 1.00 0.00 O ATOM 245 CB TYR A 16 6.175 -6.934 5.528 1.00 0.00 C ATOM 246 CG TYR A 16 7.505 -7.167 4.854 1.00 0.00 C ATOM 247 CD1 TYR A 16 8.116 -8.427 4.925 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.129 -6.127 4.155 1.00 0.00 C ATOM 249 CE1 TYR A 16 9.348 -8.644 4.297 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.361 -6.345 3.528 1.00 0.00 C ATOM 251 CZ TYR A 16 9.971 -7.603 3.598 1.00 0.00 C ATOM 252 OH TYR A 16 11.186 -7.817 2.979 1.00 0.00 O ATOM 0 H TYR A 16 3.786 -6.485 5.985 1.00 0.00 H new ATOM 0 HA TYR A 16 5.292 -7.636 3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.972 -5.865 5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.198 -7.321 6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.636 -9.230 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.659 -5.156 4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.818 -9.615 4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.842 -5.542 2.989 1.00 0.00 H new ATOM 0 HH TYR A 16 11.478 -6.992 2.538 1.00 0.00 H new ATOM 262 N GLN A 17 4.255 -9.883 4.373 1.00 0.00 N ATOM 263 CA GLN A 17 4.075 -11.322 4.720 1.00 0.00 C ATOM 264 C GLN A 17 3.260 -11.482 6.009 1.00 0.00 C ATOM 265 O GLN A 17 3.413 -12.446 6.732 1.00 0.00 O ATOM 266 CB GLN A 17 5.490 -11.870 4.904 1.00 0.00 C ATOM 267 CG GLN A 17 6.358 -11.446 3.718 1.00 0.00 C ATOM 268 CD GLN A 17 7.081 -12.668 3.149 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.226 -12.914 3.469 1.00 0.00 O ATOM 270 NE2 GLN A 17 6.455 -13.452 2.313 1.00 0.00 N ATOM 0 H GLN A 17 3.818 -9.594 3.498 1.00 0.00 H new ATOM 0 HA GLN A 17 3.527 -11.857 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.918 -11.496 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.464 -12.957 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.739 -10.986 2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.083 -10.696 4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.493 -13.246 2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.928 -14.270 1.929 1.00 0.00 H new ATOM 279 N GLY A 18 2.381 -10.559 6.294 1.00 0.00 N ATOM 280 CA GLY A 18 1.548 -10.685 7.528 1.00 0.00 C ATOM 281 C GLY A 18 1.848 -9.540 8.497 1.00 0.00 C ATOM 282 O GLY A 18 1.381 -9.533 9.619 1.00 0.00 O ATOM 0 H GLY A 18 2.203 -9.728 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.491 -10.677 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.748 -11.641 8.012 1.00 0.00 H new ATOM 286 N GLU A 19 2.617 -8.570 8.086 1.00 0.00 N ATOM 287 CA GLU A 19 2.929 -7.437 9.004 1.00 0.00 C ATOM 288 C GLU A 19 2.445 -6.113 8.409 1.00 0.00 C ATOM 289 O GLU A 19 2.828 -5.730 7.325 1.00 0.00 O ATOM 290 CB GLU A 19 4.450 -7.435 9.136 1.00 0.00 C ATOM 291 CG GLU A 19 4.864 -8.361 10.282 1.00 0.00 C ATOM 292 CD GLU A 19 5.427 -9.664 9.710 1.00 0.00 C ATOM 293 OE1 GLU A 19 5.382 -9.826 8.502 1.00 0.00 O ATOM 294 OE2 GLU A 19 5.895 -10.477 10.490 1.00 0.00 O ATOM 0 H GLU A 19 3.041 -8.512 7.160 1.00 0.00 H new ATOM 0 HA GLU A 19 2.434 -7.549 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.907 -7.766 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.808 -6.423 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.612 -7.872 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.006 -8.573 10.920 1.00 0.00 H new ATOM 301 N ARG A 20 1.608 -5.411 9.116 1.00 0.00 N ATOM 302 CA ARG A 20 1.102 -4.108 8.594 1.00 0.00 C ATOM 303 C ARG A 20 2.070 -2.984 8.963 1.00 0.00 C ATOM 304 O ARG A 20 2.466 -2.845 10.103 1.00 0.00 O ATOM 305 CB ARG A 20 -0.248 -3.905 9.282 1.00 0.00 C ATOM 306 CG ARG A 20 -1.337 -4.632 8.492 1.00 0.00 C ATOM 307 CD ARG A 20 -2.450 -5.076 9.444 1.00 0.00 C ATOM 308 NE ARG A 20 -2.635 -6.528 9.168 1.00 0.00 N ATOM 309 CZ ARG A 20 -1.996 -7.415 9.881 1.00 0.00 C ATOM 310 NH1 ARG A 20 -2.112 -7.413 11.181 1.00 0.00 N ATOM 311 NH2 ARG A 20 -1.239 -8.301 9.296 1.00 0.00 N ATOM 0 H ARG A 20 1.251 -5.680 10.033 1.00 0.00 H new ATOM 0 HA ARG A 20 1.009 -4.103 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.209 -4.285 10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.479 -2.842 9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.743 -3.975 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.914 -5.497 7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.172 -4.904 10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.370 -4.519 9.263 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.261 -6.829 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.702 -6.718 11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.613 -8.106 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.146 -8.301 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.740 -8.994 9.854 1.00 0.00 H new ATOM 325 N VAL A 21 2.460 -2.182 8.009 1.00 0.00 N ATOM 326 CA VAL A 21 3.408 -1.073 8.318 1.00 0.00 C ATOM 327 C VAL A 21 3.218 0.085 7.336 1.00 0.00 C ATOM 328 O VAL A 21 2.754 -0.094 6.226 1.00 0.00 O ATOM 329 CB VAL A 21 4.799 -1.687 8.157 1.00 0.00 C ATOM 330 CG1 VAL A 21 5.091 -2.609 9.343 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.851 -2.496 6.860 1.00 0.00 C ATOM 0 H VAL A 21 2.165 -2.246 7.035 1.00 0.00 H new ATOM 0 HA VAL A 21 3.251 -0.666 9.317 1.00 0.00 H new ATOM 0 HB VAL A 21 5.545 -0.893 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.083 -3.047 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.053 -2.034 10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.346 -3.404 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.842 -2.934 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.105 -3.290 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.643 -1.841 6.014 1.00 0.00 H new ATOM 341 N LYS A 22 3.578 1.275 7.737 1.00 0.00 N ATOM 342 CA LYS A 22 3.422 2.447 6.830 1.00 0.00 C ATOM 343 C LYS A 22 4.694 2.645 6.002 1.00 0.00 C ATOM 344 O LYS A 22 5.706 3.100 6.497 1.00 0.00 O ATOM 345 CB LYS A 22 3.196 3.639 7.760 1.00 0.00 C ATOM 346 CG LYS A 22 1.706 3.756 8.088 1.00 0.00 C ATOM 347 CD LYS A 22 0.989 4.492 6.955 1.00 0.00 C ATOM 348 CE LYS A 22 -0.520 4.481 7.214 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.136 4.825 5.903 1.00 0.00 N ATOM 0 H LYS A 22 3.973 1.485 8.654 1.00 0.00 H new ATOM 0 HA LYS A 22 2.601 2.319 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.772 3.513 8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.548 4.555 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.274 2.764 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.571 4.293 9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.350 5.518 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.208 4.014 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.854 3.504 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.794 5.205 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.962 5.438 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.440 5.324 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.437 3.954 5.421 1.00 0.00 H new ATOM 363 N ILE A 23 4.651 2.303 4.743 1.00 0.00 N ATOM 364 CA ILE A 23 5.857 2.470 3.883 1.00 0.00 C ATOM 365 C ILE A 23 6.488 3.844 4.110 1.00 0.00 C ATOM 366 O ILE A 23 7.669 4.040 3.897 1.00 0.00 O ATOM 367 CB ILE A 23 5.336 2.354 2.451 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.499 2.522 1.470 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.296 3.448 2.201 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.117 1.919 0.116 1.00 0.00 C ATOM 0 H ILE A 23 3.833 1.915 4.273 1.00 0.00 H new ATOM 0 HA ILE A 23 6.625 1.729 4.104 1.00 0.00 H new ATOM 0 HB ILE A 23 4.879 1.375 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.741 3.578 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.391 2.032 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.922 3.368 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.469 3.330 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.755 4.426 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.945 2.039 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.897 0.859 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.237 2.430 -0.274 1.00 0.00 H new ATOM 382 N GLN A 24 5.710 4.800 4.535 1.00 0.00 N ATOM 383 CA GLN A 24 6.263 6.165 4.769 1.00 0.00 C ATOM 384 C GLN A 24 7.075 6.203 6.068 1.00 0.00 C ATOM 385 O GLN A 24 7.735 7.178 6.368 1.00 0.00 O ATOM 386 CB GLN A 24 5.036 7.068 4.879 1.00 0.00 C ATOM 387 CG GLN A 24 4.257 6.719 6.149 1.00 0.00 C ATOM 388 CD GLN A 24 3.928 7.999 6.917 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.727 8.914 6.968 1.00 0.00 O ATOM 390 NE2 GLN A 24 2.777 8.104 7.521 1.00 0.00 N ATOM 0 H GLN A 24 4.714 4.696 4.731 1.00 0.00 H new ATOM 0 HA GLN A 24 6.937 6.478 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.342 8.114 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.399 6.943 4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.339 6.192 5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.845 6.048 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.107 7.336 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.547 8.954 8.036 1.00 0.00 H new ATOM 399 N GLU A 25 7.030 5.154 6.841 1.00 0.00 N ATOM 400 CA GLU A 25 7.799 5.139 8.119 1.00 0.00 C ATOM 401 C GLU A 25 8.876 4.052 8.078 1.00 0.00 C ATOM 402 O GLU A 25 10.053 4.330 8.189 1.00 0.00 O ATOM 403 CB GLU A 25 6.764 4.833 9.202 1.00 0.00 C ATOM 404 CG GLU A 25 5.993 6.109 9.544 1.00 0.00 C ATOM 405 CD GLU A 25 4.753 5.752 10.363 1.00 0.00 C ATOM 406 OE1 GLU A 25 4.848 4.854 11.184 1.00 0.00 O ATOM 407 OE2 GLU A 25 3.728 6.382 10.156 1.00 0.00 O ATOM 0 H GLU A 25 6.496 4.308 6.645 1.00 0.00 H new ATOM 0 HA GLU A 25 8.312 6.083 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.076 4.061 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.258 4.444 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.630 6.791 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.702 6.626 8.630 1.00 0.00 H new ATOM 414 N LYS A 26 8.483 2.818 7.917 1.00 0.00 N ATOM 415 CA LYS A 26 9.490 1.718 7.865 1.00 0.00 C ATOM 416 C LYS A 26 10.241 1.756 6.533 1.00 0.00 C ATOM 417 O LYS A 26 11.371 1.325 6.431 1.00 0.00 O ATOM 418 CB LYS A 26 8.678 0.429 7.987 1.00 0.00 C ATOM 419 CG LYS A 26 9.617 -0.778 7.892 1.00 0.00 C ATOM 420 CD LYS A 26 9.123 -1.885 8.825 1.00 0.00 C ATOM 421 CE LYS A 26 9.465 -3.250 8.223 1.00 0.00 C ATOM 422 NZ LYS A 26 8.223 -3.687 7.526 1.00 0.00 N ATOM 0 H LYS A 26 7.511 2.524 7.819 1.00 0.00 H new ATOM 0 HA LYS A 26 10.237 1.803 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.142 0.413 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.928 0.383 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.654 -1.143 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.631 -0.485 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.586 -1.782 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.046 -1.799 8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.302 -3.176 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.754 -3.961 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.466 -4.367 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.582 -4.139 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.753 -2.861 7.104 1.00 0.00 H new ATOM 436 N PHE A 27 9.617 2.273 5.509 1.00 0.00 N ATOM 437 CA PHE A 27 10.288 2.343 4.181 1.00 0.00 C ATOM 438 C PHE A 27 10.472 3.805 3.764 1.00 0.00 C ATOM 439 O PHE A 27 10.383 4.146 2.601 1.00 0.00 O ATOM 440 CB PHE A 27 9.339 1.622 3.223 1.00 0.00 C ATOM 441 CG PHE A 27 9.496 0.128 3.386 1.00 0.00 C ATOM 442 CD1 PHE A 27 10.771 -0.450 3.358 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.367 -0.678 3.565 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.915 -1.835 3.510 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.510 -2.062 3.717 1.00 0.00 C ATOM 446 CZ PHE A 27 9.784 -2.641 3.690 1.00 0.00 C ATOM 0 H PHE A 27 8.670 2.650 5.536 1.00 0.00 H new ATOM 0 HA PHE A 27 11.279 1.889 4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.309 1.914 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.555 1.911 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.643 0.172 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.384 -0.232 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.898 -2.281 3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.637 -2.683 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.895 -3.709 3.808 1.00 0.00 H new ATOM 456 N LYS A 28 10.730 4.669 4.708 1.00 0.00 N ATOM 457 CA LYS A 28 10.921 6.107 4.373 1.00 0.00 C ATOM 458 C LYS A 28 12.262 6.297 3.655 1.00 0.00 C ATOM 459 O LYS A 28 12.483 7.282 2.979 1.00 0.00 O ATOM 460 CB LYS A 28 10.899 6.820 5.732 1.00 0.00 C ATOM 461 CG LYS A 28 11.714 8.113 5.667 1.00 0.00 C ATOM 462 CD LYS A 28 13.194 7.782 5.849 1.00 0.00 C ATOM 463 CE LYS A 28 13.870 8.892 6.656 1.00 0.00 C ATOM 464 NZ LYS A 28 14.201 9.948 5.659 1.00 0.00 N ATOM 0 H LYS A 28 10.817 4.440 5.698 1.00 0.00 H new ATOM 0 HA LYS A 28 10.157 6.501 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.871 7.044 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.306 6.164 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.555 8.610 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.385 8.804 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.303 6.827 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.677 7.679 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.207 9.276 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.767 8.526 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.683 10.736 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.825 9.552 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.326 10.294 5.217 1.00 0.00 H new ATOM 478 N ASN A 29 13.155 5.357 3.794 1.00 0.00 N ATOM 479 CA ASN A 29 14.477 5.477 3.117 1.00 0.00 C ATOM 480 C ASN A 29 14.543 4.518 1.926 1.00 0.00 C ATOM 481 O ASN A 29 15.545 3.872 1.690 1.00 0.00 O ATOM 482 CB ASN A 29 15.504 5.085 4.181 1.00 0.00 C ATOM 483 CG ASN A 29 15.911 6.327 4.976 1.00 0.00 C ATOM 484 OD1 ASN A 29 15.728 7.438 4.523 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.461 6.182 6.152 1.00 0.00 N ATOM 0 H ASN A 29 13.027 4.510 4.348 1.00 0.00 H new ATOM 0 HA ASN A 29 14.657 6.480 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.083 4.334 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.380 4.638 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.737 7.003 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.614 5.248 6.532 1.00 0.00 H new ATOM 492 N GLY A 30 13.480 4.420 1.174 1.00 0.00 N ATOM 493 CA GLY A 30 13.478 3.503 -0.001 1.00 0.00 C ATOM 494 C GLY A 30 13.236 2.068 0.473 1.00 0.00 C ATOM 495 O GLY A 30 13.547 1.712 1.592 1.00 0.00 O ATOM 0 H GLY A 30 12.613 4.936 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.702 3.800 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.430 3.568 -0.528 1.00 0.00 H new ATOM 499 N MET A 31 12.680 1.240 -0.371 1.00 0.00 N ATOM 500 CA MET A 31 12.420 -0.173 0.033 1.00 0.00 C ATOM 501 C MET A 31 13.508 -1.091 -0.527 1.00 0.00 C ATOM 502 O MET A 31 14.096 -0.818 -1.554 1.00 0.00 O ATOM 503 CB MET A 31 11.060 -0.517 -0.578 1.00 0.00 C ATOM 504 CG MET A 31 10.065 0.604 -0.276 1.00 0.00 C ATOM 505 SD MET A 31 8.460 0.200 -1.007 1.00 0.00 S ATOM 506 CE MET A 31 8.652 1.174 -2.520 1.00 0.00 C ATOM 0 H MET A 31 12.395 1.480 -1.321 1.00 0.00 H new ATOM 0 HA MET A 31 12.424 -0.300 1.116 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.157 -0.651 -1.655 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.695 -1.460 -0.171 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.963 0.734 0.801 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.432 1.548 -0.678 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.669 1.441 -2.908 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.214 2.081 -2.300 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.189 0.587 -3.265 1.00 0.00 H new ATOM 516 N LEU A 32 13.779 -2.179 0.140 1.00 0.00 N ATOM 517 CA LEU A 32 14.828 -3.114 -0.355 1.00 0.00 C ATOM 518 C LEU A 32 14.407 -3.717 -1.698 1.00 0.00 C ATOM 519 O LEU A 32 13.236 -3.809 -2.009 1.00 0.00 O ATOM 520 CB LEU A 32 14.927 -4.200 0.714 1.00 0.00 C ATOM 521 CG LEU A 32 15.286 -3.566 2.058 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.430 -4.662 3.116 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.612 -2.810 1.929 1.00 0.00 C ATOM 0 H LEU A 32 13.320 -2.461 1.006 1.00 0.00 H new ATOM 0 HA LEU A 32 15.783 -2.615 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.980 -4.733 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.683 -4.933 0.433 1.00 0.00 H new ATOM 0 HG LEU A 32 14.498 -2.873 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.686 -4.211 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.489 -5.203 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.218 -5.354 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.868 -2.358 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.399 -3.504 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.514 -2.030 1.174 1.00 0.00 H new ATOM 535 N HIS A 33 15.355 -4.130 -2.494 1.00 0.00 N ATOM 536 CA HIS A 33 15.015 -4.728 -3.817 1.00 0.00 C ATOM 537 C HIS A 33 14.283 -6.063 -3.625 1.00 0.00 C ATOM 538 O HIS A 33 14.608 -6.839 -2.750 1.00 0.00 O ATOM 539 CB HIS A 33 16.368 -4.940 -4.505 1.00 0.00 C ATOM 540 CG HIS A 33 16.232 -5.957 -5.608 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.458 -5.729 -6.734 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.767 -7.212 -5.767 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.547 -6.822 -7.514 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.333 -7.756 -6.972 1.00 0.00 N ATOM 0 H HIS A 33 16.352 -4.079 -2.285 1.00 0.00 H new ATOM 0 HA HIS A 33 14.353 -4.093 -4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.730 -3.996 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.106 -5.277 -3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.424 -7.702 -5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.044 -6.931 -8.463 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.565 -8.671 -7.358 1.00 0.00 H new ATOM 552 N GLY A 34 13.306 -6.337 -4.448 1.00 0.00 N ATOM 553 CA GLY A 34 12.562 -7.625 -4.324 1.00 0.00 C ATOM 554 C GLY A 34 11.631 -7.587 -3.107 1.00 0.00 C ATOM 555 O GLY A 34 10.947 -8.548 -2.812 1.00 0.00 O ATOM 0 H GLY A 34 12.991 -5.725 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.982 -7.806 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.266 -8.451 -4.226 1.00 0.00 H new ATOM 559 N ASP A 35 11.594 -6.492 -2.396 1.00 0.00 N ATOM 560 CA ASP A 35 10.700 -6.412 -1.201 1.00 0.00 C ATOM 561 C ASP A 35 9.248 -6.677 -1.611 1.00 0.00 C ATOM 562 O ASP A 35 8.704 -6.005 -2.463 1.00 0.00 O ATOM 563 CB ASP A 35 10.859 -4.983 -0.680 1.00 0.00 C ATOM 564 CG ASP A 35 10.180 -4.858 0.686 1.00 0.00 C ATOM 565 OD1 ASP A 35 9.259 -5.618 0.940 1.00 0.00 O ATOM 566 OD2 ASP A 35 10.593 -4.005 1.454 1.00 0.00 O ATOM 0 H ASP A 35 12.141 -5.653 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 35 10.957 -7.151 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.916 -4.731 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.417 -4.277 -1.383 1.00 0.00 H new ATOM 571 N LYS A 36 8.615 -7.650 -1.013 1.00 0.00 N ATOM 572 CA LYS A 36 7.200 -7.950 -1.381 1.00 0.00 C ATOM 573 C LYS A 36 6.239 -7.334 -0.361 1.00 0.00 C ATOM 574 O LYS A 36 6.342 -7.569 0.827 1.00 0.00 O ATOM 575 CB LYS A 36 7.098 -9.475 -1.361 1.00 0.00 C ATOM 576 CG LYS A 36 7.553 -10.034 -2.711 1.00 0.00 C ATOM 577 CD LYS A 36 6.366 -10.690 -3.420 1.00 0.00 C ATOM 578 CE LYS A 36 6.878 -11.651 -4.495 1.00 0.00 C ATOM 579 NZ LYS A 36 5.664 -12.352 -4.996 1.00 0.00 N ATOM 0 H LYS A 36 9.013 -8.248 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 36 6.934 -7.536 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.716 -9.881 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.071 -9.779 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.962 -9.234 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.350 -10.763 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.751 -11.229 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.732 -9.927 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.382 -11.113 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.599 -12.357 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.935 -13.029 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.209 -12.861 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.999 -11.656 -5.389 1.00 0.00 H new ATOM 593 N VAL A 37 5.307 -6.545 -0.820 1.00 0.00 N ATOM 594 CA VAL A 37 4.335 -5.909 0.117 1.00 0.00 C ATOM 595 C VAL A 37 2.931 -5.893 -0.502 1.00 0.00 C ATOM 596 O VAL A 37 2.768 -5.667 -1.685 1.00 0.00 O ATOM 597 CB VAL A 37 4.848 -4.480 0.313 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.041 -4.493 1.272 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.287 -3.903 -1.036 1.00 0.00 C ATOM 0 H VAL A 37 5.175 -6.312 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 37 4.260 -6.450 1.060 1.00 0.00 H new ATOM 0 HB VAL A 37 4.051 -3.864 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.407 -3.476 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.731 -4.902 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.837 -5.110 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.652 -2.886 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.083 -4.519 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.439 -3.893 -1.721 1.00 0.00 H new ATOM 609 N SER A 38 1.917 -6.125 0.288 1.00 0.00 N ATOM 610 CA SER A 38 0.528 -6.116 -0.261 1.00 0.00 C ATOM 611 C SER A 38 -0.160 -4.787 0.067 1.00 0.00 C ATOM 612 O SER A 38 -0.026 -4.262 1.154 1.00 0.00 O ATOM 613 CB SER A 38 -0.189 -7.270 0.436 1.00 0.00 C ATOM 614 OG SER A 38 0.771 -8.207 0.906 1.00 0.00 O ATOM 0 H SER A 38 1.989 -6.320 1.287 1.00 0.00 H new ATOM 0 HA SER A 38 0.516 -6.226 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.784 -6.894 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.879 -7.755 -0.255 1.00 0.00 H new ATOM 0 HG SER A 38 0.313 -8.948 1.355 1.00 0.00 H new ATOM 620 N PHE A 39 -0.898 -4.242 -0.862 1.00 0.00 N ATOM 621 CA PHE A 39 -1.597 -2.950 -0.597 1.00 0.00 C ATOM 622 C PHE A 39 -3.070 -3.210 -0.268 1.00 0.00 C ATOM 623 O PHE A 39 -3.673 -4.134 -0.775 1.00 0.00 O ATOM 624 CB PHE A 39 -1.467 -2.160 -1.898 1.00 0.00 C ATOM 625 CG PHE A 39 -0.090 -1.545 -1.978 1.00 0.00 C ATOM 626 CD1 PHE A 39 1.037 -2.367 -2.101 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.062 -0.154 -1.929 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.314 -1.799 -2.173 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.340 0.415 -2.001 1.00 0.00 C ATOM 630 CZ PHE A 39 2.467 -0.408 -2.123 1.00 0.00 C ATOM 0 H PHE A 39 -1.047 -4.634 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.172 -2.411 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.634 -2.816 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.228 -1.381 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.921 -3.440 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.807 0.481 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.182 -2.434 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.456 1.488 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.453 0.030 -2.178 1.00 0.00 H new ATOM 640 N PHE A 40 -3.657 -2.406 0.578 1.00 0.00 N ATOM 641 CA PHE A 40 -5.089 -2.624 0.934 1.00 0.00 C ATOM 642 C PHE A 40 -6.006 -1.963 -0.097 1.00 0.00 C ATOM 643 O PHE A 40 -5.900 -0.785 -0.374 1.00 0.00 O ATOM 644 CB PHE A 40 -5.273 -1.965 2.302 1.00 0.00 C ATOM 645 CG PHE A 40 -4.923 -2.950 3.392 1.00 0.00 C ATOM 646 CD1 PHE A 40 -4.003 -3.976 3.144 1.00 0.00 C ATOM 647 CD2 PHE A 40 -5.520 -2.837 4.654 1.00 0.00 C ATOM 648 CE1 PHE A 40 -3.680 -4.888 4.156 1.00 0.00 C ATOM 649 CE2 PHE A 40 -5.197 -3.749 5.666 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.276 -4.774 5.416 1.00 0.00 C ATOM 0 H PHE A 40 -3.210 -1.612 1.036 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.342 -3.684 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.639 -1.082 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.303 -1.629 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.542 -4.064 2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.230 -2.046 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.971 -5.679 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.658 -3.662 6.639 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.026 -5.477 6.197 1.00 0.00 H new ATOM 660 N CYS A 41 -6.913 -2.713 -0.656 1.00 0.00 N ATOM 661 CA CYS A 41 -7.851 -2.133 -1.658 1.00 0.00 C ATOM 662 C CYS A 41 -9.279 -2.578 -1.340 1.00 0.00 C ATOM 663 O CYS A 41 -9.493 -3.540 -0.628 1.00 0.00 O ATOM 664 CB CYS A 41 -7.392 -2.694 -3.002 1.00 0.00 C ATOM 665 SG CYS A 41 -5.854 -1.877 -3.496 1.00 0.00 S ATOM 0 H CYS A 41 -7.046 -3.706 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.847 -1.043 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.238 -3.770 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.161 -2.535 -3.758 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.478 -1.057 -2.560 1.00 0.00 H new ATOM 670 N LYS A 42 -10.261 -1.887 -1.849 1.00 0.00 N ATOM 671 CA LYS A 42 -11.668 -2.280 -1.555 1.00 0.00 C ATOM 672 C LYS A 42 -12.373 -2.755 -2.825 1.00 0.00 C ATOM 673 O LYS A 42 -12.104 -2.285 -3.914 1.00 0.00 O ATOM 674 CB LYS A 42 -12.329 -1.010 -1.022 1.00 0.00 C ATOM 675 CG LYS A 42 -12.086 0.139 -2.004 1.00 0.00 C ATOM 676 CD LYS A 42 -13.102 1.254 -1.749 1.00 0.00 C ATOM 677 CE LYS A 42 -12.371 2.592 -1.620 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.360 3.158 -2.998 1.00 0.00 N ATOM 0 H LYS A 42 -10.152 -1.072 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.721 -3.103 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.399 -1.171 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.922 -0.758 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.072 0.523 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.175 -0.220 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.822 1.298 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.665 1.046 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.883 3.256 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.358 2.454 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.875 4.078 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.860 2.507 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.338 3.285 -3.329 1.00 0.00 H new ATOM 692 N ASN A 43 -13.277 -3.682 -2.690 1.00 0.00 N ATOM 693 CA ASN A 43 -14.012 -4.193 -3.881 1.00 0.00 C ATOM 694 C ASN A 43 -15.459 -3.690 -3.861 1.00 0.00 C ATOM 695 O ASN A 43 -16.114 -3.698 -2.838 1.00 0.00 O ATOM 696 CB ASN A 43 -13.967 -5.716 -3.749 1.00 0.00 C ATOM 697 CG ASN A 43 -14.142 -6.354 -5.127 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.209 -6.082 -5.828 1.00 0.00 O flip ATOM 699 ND2 ASN A 43 -13.299 -7.108 -5.571 1.00 0.00 N flip ATOM 0 H ASN A 43 -13.541 -4.111 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.572 -3.854 -4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.018 -6.026 -3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.754 -6.057 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.465 -7.320 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.425 -7.529 -6.492 1.00 0.00 H new ATOM 706 N LYS A 44 -15.960 -3.250 -4.983 1.00 0.00 N ATOM 707 CA LYS A 44 -17.362 -2.744 -5.025 1.00 0.00 C ATOM 708 C LYS A 44 -18.348 -3.913 -5.093 1.00 0.00 C ATOM 709 O LYS A 44 -19.293 -3.984 -4.334 1.00 0.00 O ATOM 710 CB LYS A 44 -17.441 -1.894 -6.294 1.00 0.00 C ATOM 711 CG LYS A 44 -16.858 -0.507 -6.014 1.00 0.00 C ATOM 712 CD LYS A 44 -17.986 0.525 -5.988 1.00 0.00 C ATOM 713 CE LYS A 44 -18.062 1.166 -4.599 1.00 0.00 C ATOM 714 NZ LYS A 44 -19.043 0.335 -3.848 1.00 0.00 N ATOM 0 H LYS A 44 -15.460 -3.219 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.619 -2.169 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.891 -2.376 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.477 -1.806 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.330 -0.509 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.129 -0.246 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.810 1.290 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.935 0.048 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.088 1.166 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.388 2.204 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.737 0.247 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.979 0.787 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.099 -0.610 -4.279 1.00 0.00 H new ATOM 728 N GLU A 45 -18.137 -4.832 -5.997 1.00 0.00 N ATOM 729 CA GLU A 45 -19.065 -5.994 -6.104 1.00 0.00 C ATOM 730 C GLU A 45 -19.115 -6.748 -4.774 1.00 0.00 C ATOM 731 O GLU A 45 -20.171 -7.112 -4.293 1.00 0.00 O ATOM 732 CB GLU A 45 -18.471 -6.877 -7.202 1.00 0.00 C ATOM 733 CG GLU A 45 -19.488 -7.038 -8.332 1.00 0.00 C ATOM 734 CD GLU A 45 -20.282 -8.328 -8.123 1.00 0.00 C ATOM 735 OE1 GLU A 45 -19.667 -9.381 -8.082 1.00 0.00 O ATOM 736 OE2 GLU A 45 -21.494 -8.241 -8.006 1.00 0.00 O ATOM 0 H GLU A 45 -17.365 -4.828 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.086 -5.690 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.553 -6.431 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.206 -7.853 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.163 -6.182 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.977 -7.065 -9.294 1.00 0.00 H new ATOM 743 N LYS A 46 -17.981 -6.984 -4.173 1.00 0.00 N ATOM 744 CA LYS A 46 -17.962 -7.712 -2.872 1.00 0.00 C ATOM 745 C LYS A 46 -18.112 -6.714 -1.719 1.00 0.00 C ATOM 746 O LYS A 46 -18.473 -7.072 -0.616 1.00 0.00 O ATOM 747 CB LYS A 46 -16.594 -8.397 -2.813 1.00 0.00 C ATOM 748 CG LYS A 46 -16.281 -9.071 -4.154 1.00 0.00 C ATOM 749 CD LYS A 46 -16.990 -10.424 -4.227 1.00 0.00 C ATOM 750 CE LYS A 46 -16.241 -11.339 -5.201 1.00 0.00 C ATOM 751 NZ LYS A 46 -16.301 -12.694 -4.583 1.00 0.00 N ATOM 0 H LYS A 46 -17.066 -6.704 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.776 -8.432 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.822 -7.664 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.585 -9.138 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.606 -8.434 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.205 -9.207 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.028 -10.881 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.020 -10.290 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.708 -11.334 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.210 -11.012 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.808 -13.376 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.843 -12.671 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.294 -12.982 -4.474 1.00 0.00 H new ATOM 765 N LYS A 47 -17.838 -5.462 -1.978 1.00 0.00 N ATOM 766 CA LYS A 47 -17.959 -4.419 -0.918 1.00 0.00 C ATOM 767 C LYS A 47 -17.034 -4.725 0.264 1.00 0.00 C ATOM 768 O LYS A 47 -17.298 -4.340 1.384 1.00 0.00 O ATOM 769 CB LYS A 47 -19.421 -4.450 -0.482 1.00 0.00 C ATOM 770 CG LYS A 47 -20.306 -3.939 -1.620 1.00 0.00 C ATOM 771 CD LYS A 47 -21.684 -3.569 -1.068 1.00 0.00 C ATOM 772 CE LYS A 47 -21.722 -2.071 -0.759 1.00 0.00 C ATOM 773 NZ LYS A 47 -22.983 -1.867 0.006 1.00 0.00 N ATOM 0 H LYS A 47 -17.533 -5.115 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.667 -3.436 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.709 -5.466 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.560 -3.833 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.846 -3.070 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.404 -4.704 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.458 -3.822 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.893 -4.143 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.853 -1.766 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.715 -1.479 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.080 -0.862 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.794 -2.159 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.958 -2.437 0.875 1.00 0.00 H new ATOM 787 N CYS A 48 -15.944 -5.399 0.022 1.00 0.00 N ATOM 788 CA CYS A 48 -14.998 -5.708 1.138 1.00 0.00 C ATOM 789 C CYS A 48 -13.581 -5.309 0.742 1.00 0.00 C ATOM 790 O CYS A 48 -13.317 -4.951 -0.389 1.00 0.00 O ATOM 791 CB CYS A 48 -15.051 -7.226 1.405 1.00 0.00 C ATOM 792 SG CYS A 48 -16.081 -8.098 0.188 1.00 0.00 S ATOM 0 H CYS A 48 -15.666 -5.749 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.280 -5.154 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.040 -7.633 1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.444 -7.404 2.406 1.00 0.00 H new ATOM 797 N SER A 49 -12.665 -5.366 1.665 1.00 0.00 N ATOM 798 CA SER A 49 -11.264 -4.988 1.342 1.00 0.00 C ATOM 799 C SER A 49 -10.413 -6.233 1.090 1.00 0.00 C ATOM 800 O SER A 49 -10.782 -7.339 1.434 1.00 0.00 O ATOM 801 CB SER A 49 -10.759 -4.244 2.574 1.00 0.00 C ATOM 802 OG SER A 49 -10.075 -5.154 3.426 1.00 0.00 O ATOM 0 H SER A 49 -12.826 -5.658 2.629 1.00 0.00 H new ATOM 0 HA SER A 49 -11.207 -4.379 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.092 -3.435 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.594 -3.788 3.106 1.00 0.00 H new ATOM 0 HG SER A 49 -10.073 -4.806 4.342 1.00 0.00 H new ATOM 808 N TYR A 50 -9.272 -6.046 0.495 1.00 0.00 N ATOM 809 CA TYR A 50 -8.366 -7.196 0.214 1.00 0.00 C ATOM 810 C TYR A 50 -6.944 -6.681 -0.021 1.00 0.00 C ATOM 811 O TYR A 50 -6.737 -5.511 -0.277 1.00 0.00 O ATOM 812 CB TYR A 50 -8.927 -7.856 -1.049 1.00 0.00 C ATOM 813 CG TYR A 50 -8.956 -6.852 -2.175 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.816 -6.650 -2.961 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.124 -6.125 -2.435 1.00 0.00 C ATOM 816 CE1 TYR A 50 -7.843 -5.722 -4.008 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.152 -5.196 -3.482 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.011 -4.994 -4.269 1.00 0.00 C ATOM 819 OH TYR A 50 -9.037 -4.078 -5.300 1.00 0.00 O ATOM 0 H TYR A 50 -8.923 -5.138 0.187 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.319 -7.905 1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.313 -8.712 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.932 -8.233 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.915 -7.210 -2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.003 -6.281 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.963 -5.567 -4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.053 -4.635 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.923 -3.661 -5.345 1.00 0.00 H new ATOM 829 N THR A 51 -5.960 -7.533 0.068 1.00 0.00 N ATOM 830 CA THR A 51 -4.559 -7.066 -0.144 1.00 0.00 C ATOM 831 C THR A 51 -4.086 -7.391 -1.560 1.00 0.00 C ATOM 832 O THR A 51 -4.430 -8.407 -2.130 1.00 0.00 O ATOM 833 CB THR A 51 -3.717 -7.826 0.879 1.00 0.00 C ATOM 834 OG1 THR A 51 -4.132 -9.184 0.918 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.893 -7.193 2.260 1.00 0.00 C ATOM 0 H THR A 51 -6.063 -8.526 0.277 1.00 0.00 H new ATOM 0 HA THR A 51 -4.476 -5.986 -0.023 1.00 0.00 H new ATOM 0 HB THR A 51 -2.666 -7.777 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.591 -9.673 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.292 -7.737 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.570 -6.152 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.943 -7.238 2.550 1.00 0.00 H new ATOM 843 N GLU A 52 -3.284 -6.531 -2.120 1.00 0.00 N ATOM 844 CA GLU A 52 -2.758 -6.770 -3.494 1.00 0.00 C ATOM 845 C GLU A 52 -1.237 -6.914 -3.430 1.00 0.00 C ATOM 846 O GLU A 52 -0.507 -5.954 -3.578 1.00 0.00 O ATOM 847 CB GLU A 52 -3.152 -5.529 -4.296 1.00 0.00 C ATOM 848 CG GLU A 52 -3.913 -5.953 -5.553 1.00 0.00 C ATOM 849 CD GLU A 52 -3.004 -6.812 -6.434 1.00 0.00 C ATOM 850 OE1 GLU A 52 -2.030 -7.331 -5.916 1.00 0.00 O ATOM 851 OE2 GLU A 52 -3.297 -6.934 -7.612 1.00 0.00 O ATOM 0 H GLU A 52 -2.967 -5.666 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.155 -7.678 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.772 -4.872 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.262 -4.963 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.807 -6.514 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.245 -5.073 -6.104 1.00 0.00 H new ATOM 858 N ASP A 53 -0.759 -8.104 -3.191 1.00 0.00 N ATOM 859 CA ASP A 53 0.714 -8.315 -3.094 1.00 0.00 C ATOM 860 C ASP A 53 1.461 -7.489 -4.142 1.00 0.00 C ATOM 861 O ASP A 53 0.999 -7.290 -5.247 1.00 0.00 O ATOM 862 CB ASP A 53 0.925 -9.804 -3.350 1.00 0.00 C ATOM 863 CG ASP A 53 0.318 -10.612 -2.201 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.895 -10.721 -2.156 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.080 -11.108 -1.387 1.00 0.00 O ATOM 0 H ASP A 53 -1.326 -8.942 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 53 1.096 -8.003 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.462 -10.090 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.989 -10.021 -3.438 1.00 0.00 H new ATOM 870 N ALA A 54 2.623 -7.019 -3.792 1.00 0.00 N ATOM 871 CA ALA A 54 3.438 -6.212 -4.745 1.00 0.00 C ATOM 872 C ALA A 54 4.916 -6.576 -4.583 1.00 0.00 C ATOM 873 O ALA A 54 5.325 -7.090 -3.561 1.00 0.00 O ATOM 874 CB ALA A 54 3.193 -4.757 -4.346 1.00 0.00 C ATOM 0 H ALA A 54 3.050 -7.160 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 54 3.170 -6.391 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.761 -4.099 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.131 -4.529 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.513 -4.604 -3.315 1.00 0.00 H new ATOM 880 N GLN A 55 5.722 -6.323 -5.576 1.00 0.00 N ATOM 881 CA GLN A 55 7.168 -6.669 -5.456 1.00 0.00 C ATOM 882 C GLN A 55 8.041 -5.438 -5.710 1.00 0.00 C ATOM 883 O GLN A 55 7.669 -4.537 -6.435 1.00 0.00 O ATOM 884 CB GLN A 55 7.413 -7.731 -6.529 1.00 0.00 C ATOM 885 CG GLN A 55 8.750 -8.423 -6.262 1.00 0.00 C ATOM 886 CD GLN A 55 8.988 -9.503 -7.320 1.00 0.00 C ATOM 887 OE1 GLN A 55 8.614 -9.288 -8.551 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 9.517 -10.555 -7.022 1.00 0.00 N flip ATOM 0 H GLN A 55 5.446 -5.895 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 55 7.419 -7.029 -4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.605 -8.462 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.420 -7.271 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.560 -7.693 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.749 -8.868 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.810 -10.724 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.668 -11.269 -7.734 1.00 0.00 H new ATOM 897 N CYS A 56 9.204 -5.400 -5.118 1.00 0.00 N ATOM 898 CA CYS A 56 10.111 -4.237 -5.318 1.00 0.00 C ATOM 899 C CYS A 56 11.245 -4.621 -6.269 1.00 0.00 C ATOM 900 O CYS A 56 11.760 -5.720 -6.224 1.00 0.00 O ATOM 901 CB CYS A 56 10.660 -3.931 -3.926 1.00 0.00 C ATOM 902 SG CYS A 56 10.404 -2.181 -3.544 1.00 0.00 S ATOM 0 H CYS A 56 9.565 -6.128 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 56 9.603 -3.378 -5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.161 -4.553 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.722 -4.172 -3.882 1.00 0.00 H new ATOM 907 N ILE A 57 11.633 -3.730 -7.136 1.00 0.00 N ATOM 908 CA ILE A 57 12.729 -4.054 -8.094 1.00 0.00 C ATOM 909 C ILE A 57 13.857 -3.023 -7.980 1.00 0.00 C ATOM 910 O ILE A 57 13.846 -2.163 -7.123 1.00 0.00 O ATOM 911 CB ILE A 57 12.086 -3.995 -9.486 1.00 0.00 C ATOM 912 CG1 ILE A 57 10.671 -4.581 -9.432 1.00 0.00 C ATOM 913 CG2 ILE A 57 12.929 -4.807 -10.471 1.00 0.00 C ATOM 914 CD1 ILE A 57 10.713 -5.956 -8.762 1.00 0.00 C ATOM 0 H ILE A 57 11.241 -2.793 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 57 13.169 -5.031 -7.894 1.00 0.00 H new ATOM 0 HB ILE A 57 12.035 -2.956 -9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.011 -3.914 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.263 -4.668 -10.439 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.473 -4.766 -11.460 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.935 -4.391 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.980 -5.844 -10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.707 -6.373 -8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.359 -6.621 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.103 -5.855 -7.749 1.00 0.00 H new ATOM 926 N ASP A 58 14.834 -3.119 -8.836 1.00 0.00 N ATOM 927 CA ASP A 58 15.980 -2.165 -8.790 1.00 0.00 C ATOM 928 C ASP A 58 15.508 -0.715 -8.950 1.00 0.00 C ATOM 929 O ASP A 58 15.405 -0.202 -10.046 1.00 0.00 O ATOM 930 CB ASP A 58 16.863 -2.565 -9.971 1.00 0.00 C ATOM 931 CG ASP A 58 18.297 -2.100 -9.715 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.029 -2.828 -9.065 1.00 0.00 O ATOM 933 OD2 ASP A 58 18.640 -1.023 -10.176 1.00 0.00 O ATOM 0 H ASP A 58 14.890 -3.823 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 58 16.504 -2.212 -7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.839 -3.646 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.483 -2.119 -10.890 1.00 0.00 H new ATOM 938 N GLY A 59 15.245 -0.045 -7.861 1.00 0.00 N ATOM 939 CA GLY A 59 14.807 1.381 -7.941 1.00 0.00 C ATOM 940 C GLY A 59 13.435 1.493 -8.613 1.00 0.00 C ATOM 941 O GLY A 59 12.950 2.578 -8.856 1.00 0.00 O ATOM 0 H GLY A 59 15.314 -0.423 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.762 1.809 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.540 1.960 -8.502 1.00 0.00 H new ATOM 945 N THR A 60 12.802 0.395 -8.913 1.00 0.00 N ATOM 946 CA THR A 60 11.462 0.473 -9.564 1.00 0.00 C ATOM 947 C THR A 60 10.504 -0.538 -8.934 1.00 0.00 C ATOM 948 O THR A 60 10.850 -1.675 -8.711 1.00 0.00 O ATOM 949 CB THR A 60 11.705 0.126 -11.031 1.00 0.00 C ATOM 950 OG1 THR A 60 12.799 0.888 -11.525 1.00 0.00 O ATOM 951 CG2 THR A 60 10.450 0.441 -11.844 1.00 0.00 C ATOM 0 H THR A 60 13.150 -0.548 -8.738 1.00 0.00 H new ATOM 0 HA THR A 60 11.011 1.458 -9.446 1.00 0.00 H new ATOM 0 HB THR A 60 11.936 -0.936 -11.120 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.955 0.664 -12.466 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.623 0.193 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.614 -0.147 -11.465 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.216 1.502 -11.756 1.00 0.00 H new ATOM 959 N ILE A 61 9.299 -0.134 -8.651 1.00 0.00 N ATOM 960 CA ILE A 61 8.323 -1.083 -8.040 1.00 0.00 C ATOM 961 C ILE A 61 6.969 -0.983 -8.752 1.00 0.00 C ATOM 962 O ILE A 61 6.543 0.082 -9.151 1.00 0.00 O ATOM 963 CB ILE A 61 8.203 -0.650 -6.576 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.949 -1.273 -5.959 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.107 0.875 -6.492 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.315 -1.952 -4.638 1.00 0.00 C ATOM 0 H ILE A 61 8.946 0.809 -8.815 1.00 0.00 H new ATOM 0 HA ILE A 61 8.647 -2.120 -8.127 1.00 0.00 H new ATOM 0 HB ILE A 61 9.084 -0.986 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.194 -0.505 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.515 -2.000 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.022 1.177 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.002 1.320 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.229 1.215 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.422 -2.396 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.055 -2.731 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.729 -1.213 -3.952 1.00 0.00 H new ATOM 978 N GLU A 62 6.295 -2.089 -8.914 1.00 0.00 N ATOM 979 CA GLU A 62 4.972 -2.065 -9.604 1.00 0.00 C ATOM 980 C GLU A 62 3.841 -1.951 -8.579 1.00 0.00 C ATOM 981 O GLU A 62 3.381 -2.938 -8.038 1.00 0.00 O ATOM 982 CB GLU A 62 4.889 -3.402 -10.342 1.00 0.00 C ATOM 983 CG GLU A 62 6.044 -3.510 -11.339 1.00 0.00 C ATOM 984 CD GLU A 62 5.624 -4.397 -12.512 1.00 0.00 C ATOM 985 OE1 GLU A 62 4.744 -3.990 -13.252 1.00 0.00 O ATOM 986 OE2 GLU A 62 6.190 -5.469 -12.649 1.00 0.00 O ATOM 0 H GLU A 62 6.603 -3.009 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 62 4.875 -1.216 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.932 -4.226 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.936 -3.482 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.321 -2.519 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.923 -3.929 -10.849 1.00 0.00 H new ATOM 993 N VAL A 63 3.386 -0.759 -8.311 1.00 0.00 N ATOM 994 CA VAL A 63 2.281 -0.591 -7.323 1.00 0.00 C ATOM 995 C VAL A 63 0.960 -1.076 -7.937 1.00 0.00 C ATOM 996 O VAL A 63 0.700 -0.834 -9.098 1.00 0.00 O ATOM 997 CB VAL A 63 2.236 0.914 -7.038 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.859 1.306 -6.491 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.309 1.263 -6.005 1.00 0.00 C ATOM 0 H VAL A 63 3.729 0.105 -8.731 1.00 0.00 H new ATOM 0 HA VAL A 63 2.436 -1.167 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 63 2.419 1.459 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.838 2.377 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.092 1.058 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.666 0.761 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.281 2.333 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.121 0.711 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.291 0.994 -6.395 1.00 0.00 H new ATOM 1009 N PRO A 64 0.161 -1.749 -7.141 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.139 -2.261 -7.631 1.00 0.00 C ATOM 1011 C PRO A 64 -2.019 -1.108 -8.125 1.00 0.00 C ATOM 1012 O PRO A 64 -1.837 0.031 -7.745 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.732 -2.926 -6.384 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.734 -2.771 -5.220 1.00 0.00 C ATOM 1015 CD PRO A 64 0.508 -2.029 -5.728 1.00 0.00 C ATOM 0 HA PRO A 64 -1.053 -2.944 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.686 -2.465 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.928 -3.981 -6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.194 -2.219 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.455 -3.750 -4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.691 -1.113 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.407 -2.639 -5.645 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.626 1.636 1.397 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.247 0.214 1.639 1.00 0.00 C ATOM 1274 C ALA A 80 -8.366 0.103 2.883 1.00 0.00 C ATOM 1275 O ALA A 80 -8.475 -0.833 3.652 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.468 -0.201 0.392 1.00 0.00 C ATOM 0 HA ALA A 80 -10.116 -0.422 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.151 -1.239 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.105 -0.097 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.591 0.437 0.282 1.00 0.00 H new ATOM 1282 N SER A 81 -7.496 1.049 3.089 1.00 0.00 N ATOM 1283 CA SER A 81 -6.608 0.994 4.285 1.00 0.00 C ATOM 1284 C SER A 81 -7.445 0.924 5.565 1.00 0.00 C ATOM 1285 O SER A 81 -6.947 0.602 6.625 1.00 0.00 O ATOM 1286 CB SER A 81 -5.804 2.291 4.240 1.00 0.00 C ATOM 1287 OG SER A 81 -4.425 1.982 4.085 1.00 0.00 O ATOM 0 H SER A 81 -7.360 1.858 2.483 1.00 0.00 H new ATOM 0 HA SER A 81 -5.964 0.115 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.144 2.915 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.960 2.862 5.156 1.00 0.00 H new ATOM 0 HG SER A 81 -3.891 2.794 4.214 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.713 1.226 5.480 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.570 1.179 6.700 1.00 0.00 C ATOM 1295 C ASP A 82 -10.812 0.317 6.459 1.00 0.00 C ATOM 1296 O ASP A 82 -11.852 0.532 7.049 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.968 2.631 6.958 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.761 3.404 7.493 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -8.079 2.876 8.356 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.537 4.511 7.031 1.00 0.00 O ATOM 0 H ASP A 82 -9.191 1.502 4.622 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.047 0.738 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.328 3.090 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.787 2.673 7.676 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.712 -0.665 5.604 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.891 -1.543 5.341 1.00 0.00 C ATOM 1307 C VAL A 83 -11.598 -2.968 5.812 1.00 0.00 C ATOM 1308 O VAL A 83 -10.478 -3.433 5.757 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.094 -1.510 3.826 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.395 -2.231 3.472 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.173 -0.056 3.354 1.00 0.00 C ATOM 0 H VAL A 83 -9.870 -0.897 5.078 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.781 -1.205 5.872 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.257 -2.007 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.541 -2.208 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.341 -3.266 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.232 -1.733 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.318 -0.031 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.011 0.441 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.247 0.460 3.608 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.598 -3.668 6.277 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.371 -5.063 6.750 1.00 0.00 C ATOM 1323 C LYS A 84 -12.270 -6.017 5.552 1.00 0.00 C ATOM 1324 O LYS A 84 -12.913 -5.805 4.543 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.598 -5.398 7.601 1.00 0.00 C ATOM 1326 CG LYS A 84 -13.181 -6.285 8.776 1.00 0.00 C ATOM 1327 CD LYS A 84 -14.068 -5.980 9.984 1.00 0.00 C ATOM 1328 CE LYS A 84 -13.203 -5.480 11.144 1.00 0.00 C ATOM 1329 NZ LYS A 84 -14.165 -5.181 12.240 1.00 0.00 N ATOM 0 H LYS A 84 -13.559 -3.335 6.349 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.444 -5.163 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.059 -4.481 7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.346 -5.909 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.270 -7.336 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.135 -6.108 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.811 -5.228 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.613 -6.875 10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.478 -6.234 11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.638 -4.592 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.647 -4.833 13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.838 -4.455 11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.683 -6.047 12.493 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.463 -7.039 5.698 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.285 -8.028 4.609 1.00 0.00 C ATOM 1345 C PRO A 85 -12.614 -8.716 4.291 1.00 0.00 C ATOM 1346 O PRO A 85 -13.441 -8.920 5.155 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.280 -9.015 5.210 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.918 -8.549 6.632 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.695 -7.263 6.945 1.00 0.00 C ATOM 0 HA PRO A 85 -10.945 -7.592 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.706 -10.018 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.385 -9.067 4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.164 -9.325 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.846 -8.370 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.350 -7.385 7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.028 -6.430 7.166 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.825 -9.075 3.055 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.100 -9.748 2.684 1.00 0.00 C ATOM 1359 C CYS A 86 -14.258 -11.053 3.470 1.00 0.00 C ATOM 1360 O CYS A 86 -15.183 -11.137 4.262 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.979 -10.031 1.189 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.628 -10.050 0.446 1.00 0.00 S ATOM 1363 OXT CYS A 86 -13.452 -11.945 3.267 1.00 0.00 O ATOM 0 H CYS A 86 -12.170 -8.931 2.287 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.972 -9.135 2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.362 -9.269 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.484 -10.989 1.028 1.00 0.00 H new