USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 48:sc= 0.149! USER MOD Single : A 9 THR OG1 : rot -28:sc= 0.264 USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= -0.0174 (180deg=-0.372) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.14! C(o=-2.1!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -63:sc= 1.44 USER MOD Single : A 26 ASN : amide:sc= -1.25! X(o=-1.2!,f=-0.96) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 37:sc= 0.362 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0739 (180deg=-0.314) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -1.74! (180deg=-4.24!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 66:sc= 0.0147 USER MOD Single : A 46 SER OG : rot 22:sc= 0.157 USER MOD Single : A 48 MET CE :methyl 162:sc= -0.0272 (180deg=-0.301) USER MOD Single : A 49 MET CE :methyl 155:sc= -0.149 (180deg=-0.665) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.678 10.582 2.738 1.00 0.00 N ATOM 2 CA GLY A 1 2.032 9.394 1.982 1.00 0.00 C ATOM 3 C GLY A 1 1.541 8.120 2.641 1.00 0.00 C ATOM 4 O GLY A 1 1.732 7.920 3.840 1.00 0.00 O ATOM 0 H1 GLY A 1 2.036 11.426 2.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.643 10.644 2.823 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.101 10.529 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.611 9.466 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.115 9.348 1.870 1.00 0.00 H new ATOM 8 N SER A 2 0.903 7.258 1.856 1.00 0.00 N ATOM 9 CA SER A 2 0.377 5.999 2.371 1.00 0.00 C ATOM 10 C SER A 2 -0.669 6.250 3.453 1.00 0.00 C ATOM 11 O SER A 2 -0.680 5.584 4.488 1.00 0.00 O ATOM 12 CB SER A 2 1.511 5.140 2.933 1.00 0.00 C ATOM 13 OG SER A 2 2.124 4.373 1.911 1.00 0.00 O ATOM 0 H SER A 2 0.738 7.408 0.861 1.00 0.00 H new ATOM 0 HA SER A 2 -0.098 5.468 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.255 5.780 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.121 4.477 3.705 1.00 0.00 H new ATOM 0 HG SER A 2 2.847 3.834 2.295 1.00 0.00 H new ATOM 19 N SER A 3 -1.549 7.215 3.204 1.00 0.00 N ATOM 20 CA SER A 3 -2.598 7.558 4.157 1.00 0.00 C ATOM 21 C SER A 3 -3.946 7.008 3.702 1.00 0.00 C ATOM 22 O SER A 3 -4.211 6.895 2.506 1.00 0.00 O ATOM 23 CB SER A 3 -2.685 9.076 4.328 1.00 0.00 C ATOM 24 OG SER A 3 -3.268 9.685 3.190 1.00 0.00 O ATOM 0 H SER A 3 -1.556 7.773 2.350 1.00 0.00 H new ATOM 0 HA SER A 3 -2.345 7.106 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.276 9.312 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.688 9.484 4.492 1.00 0.00 H new ATOM 0 HG SER A 3 -3.314 10.655 3.325 1.00 0.00 H new ATOM 30 N GLY A 4 -4.795 6.667 4.667 1.00 0.00 N ATOM 31 CA GLY A 4 -6.106 6.132 4.347 1.00 0.00 C ATOM 32 C GLY A 4 -6.039 4.718 3.806 1.00 0.00 C ATOM 33 O GLY A 4 -4.966 4.117 3.751 1.00 0.00 O ATOM 0 H GLY A 4 -4.598 6.752 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.729 6.146 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.588 6.776 3.612 1.00 0.00 H new ATOM 37 N SER A 5 -7.189 4.184 3.407 1.00 0.00 N ATOM 38 CA SER A 5 -7.257 2.828 2.873 1.00 0.00 C ATOM 39 C SER A 5 -7.785 2.835 1.441 1.00 0.00 C ATOM 40 O SER A 5 -8.711 3.576 1.113 1.00 0.00 O ATOM 41 CB SER A 5 -8.152 1.955 3.754 1.00 0.00 C ATOM 42 OG SER A 5 -8.315 0.663 3.195 1.00 0.00 O ATOM 0 H SER A 5 -8.086 4.669 3.443 1.00 0.00 H new ATOM 0 HA SER A 5 -6.249 2.414 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.717 1.871 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.126 2.429 3.871 1.00 0.00 H new ATOM 0 HG SER A 5 -8.890 0.124 3.778 1.00 0.00 H new ATOM 48 N SER A 6 -7.188 2.003 0.594 1.00 0.00 N ATOM 49 CA SER A 6 -7.595 1.914 -0.804 1.00 0.00 C ATOM 50 C SER A 6 -9.101 1.702 -0.919 1.00 0.00 C ATOM 51 O SER A 6 -9.772 2.354 -1.718 1.00 0.00 O ATOM 52 CB SER A 6 -6.852 0.772 -1.501 1.00 0.00 C ATOM 53 OG SER A 6 -5.488 1.098 -1.700 1.00 0.00 O ATOM 0 H SER A 6 -6.421 1.381 0.851 1.00 0.00 H new ATOM 0 HA SER A 6 -7.341 2.855 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.929 -0.135 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.322 0.560 -2.461 1.00 0.00 H new ATOM 0 HG SER A 6 -5.035 0.352 -2.145 1.00 0.00 H new ATOM 59 N GLY A 7 -9.626 0.782 -0.115 1.00 0.00 N ATOM 60 CA GLY A 7 -11.049 0.499 -0.141 1.00 0.00 C ATOM 61 C GLY A 7 -11.343 -0.979 -0.301 1.00 0.00 C ATOM 62 O GLY A 7 -10.457 -1.817 -0.134 1.00 0.00 O ATOM 0 H GLY A 7 -9.091 0.228 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.505 0.859 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.511 1.049 -0.961 1.00 0.00 H new ATOM 66 N TYR A 8 -12.591 -1.301 -0.623 1.00 0.00 N ATOM 67 CA TYR A 8 -13.001 -2.689 -0.801 1.00 0.00 C ATOM 68 C TYR A 8 -12.103 -3.397 -1.810 1.00 0.00 C ATOM 69 O TYR A 8 -11.263 -2.772 -2.459 1.00 0.00 O ATOM 70 CB TYR A 8 -14.458 -2.758 -1.262 1.00 0.00 C ATOM 71 CG TYR A 8 -14.621 -2.696 -2.763 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.565 -3.850 -3.536 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.831 -1.485 -3.410 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.713 -3.799 -4.908 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.982 -1.424 -4.782 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.922 -2.583 -5.527 1.00 0.00 C ATOM 77 OH TYR A 8 -15.070 -2.527 -6.894 1.00 0.00 O ATOM 0 H TYR A 8 -13.336 -0.620 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.907 -3.195 0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.903 -3.683 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.013 -1.935 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.403 -4.803 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.877 -0.575 -2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.666 -4.705 -5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.146 -0.474 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.712 -3.209 -7.182 1.00 0.00 H new ATOM 87 N THR A 9 -12.285 -4.708 -1.938 1.00 0.00 N ATOM 88 CA THR A 9 -11.493 -5.503 -2.867 1.00 0.00 C ATOM 89 C THR A 9 -12.208 -6.800 -3.230 1.00 0.00 C ATOM 90 O THR A 9 -12.993 -7.329 -2.443 1.00 0.00 O ATOM 91 CB THR A 9 -10.109 -5.841 -2.279 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.516 -4.665 -1.717 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.193 -6.416 -3.348 1.00 0.00 C ATOM 0 H THR A 9 -12.975 -5.241 -1.409 1.00 0.00 H new ATOM 0 HA THR A 9 -11.361 -4.900 -3.765 1.00 0.00 H new ATOM 0 HB THR A 9 -10.243 -6.589 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.856 -3.873 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.222 -6.647 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.634 -7.327 -3.753 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.066 -5.687 -4.148 1.00 0.00 H new ATOM 101 N CYS A 10 -11.931 -7.308 -4.426 1.00 0.00 N ATOM 102 CA CYS A 10 -12.548 -8.543 -4.894 1.00 0.00 C ATOM 103 C CYS A 10 -12.358 -9.665 -3.877 1.00 0.00 C ATOM 104 O CYS A 10 -11.238 -10.119 -3.639 1.00 0.00 O ATOM 105 CB CYS A 10 -11.953 -8.955 -6.242 1.00 0.00 C ATOM 106 SG CYS A 10 -12.550 -10.563 -6.858 1.00 0.00 S ATOM 0 H CYS A 10 -11.283 -6.883 -5.089 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.616 -8.364 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.185 -8.187 -6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.867 -8.993 -6.152 1.00 0.00 H new ATOM 111 N PHE A 11 -13.460 -10.108 -3.281 1.00 0.00 N ATOM 112 CA PHE A 11 -13.415 -11.176 -2.289 1.00 0.00 C ATOM 113 C PHE A 11 -13.209 -12.532 -2.959 1.00 0.00 C ATOM 114 O PHE A 11 -13.064 -13.553 -2.286 1.00 0.00 O ATOM 115 CB PHE A 11 -14.705 -11.192 -1.467 1.00 0.00 C ATOM 116 CG PHE A 11 -14.631 -12.071 -0.251 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.680 -11.840 0.730 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.512 -13.127 -0.089 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.609 -12.647 1.849 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.446 -13.938 1.028 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.494 -13.697 1.999 1.00 0.00 C ATOM 0 H PHE A 11 -14.395 -9.744 -3.467 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.572 -10.986 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.941 -10.174 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.525 -11.530 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.986 -11.020 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.259 -13.319 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.862 -12.457 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.138 -14.759 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.442 -14.328 2.874 1.00 0.00 H new ATOM 131 N ARG A 12 -13.198 -12.533 -4.288 1.00 0.00 N ATOM 132 CA ARG A 12 -13.012 -13.762 -5.049 1.00 0.00 C ATOM 133 C ARG A 12 -11.536 -14.144 -5.113 1.00 0.00 C ATOM 134 O ARG A 12 -11.116 -15.142 -4.527 1.00 0.00 O ATOM 135 CB ARG A 12 -13.569 -13.600 -6.465 1.00 0.00 C ATOM 136 CG ARG A 12 -13.962 -14.914 -7.119 1.00 0.00 C ATOM 137 CD ARG A 12 -14.714 -14.686 -8.421 1.00 0.00 C ATOM 138 NE ARG A 12 -14.991 -15.938 -9.120 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.007 -16.739 -8.817 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.837 -16.420 -7.834 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.194 -17.862 -9.499 1.00 0.00 N ATOM 0 H ARG A 12 -13.316 -11.696 -4.860 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.555 -14.559 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.440 -12.946 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.822 -13.104 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.068 -15.507 -7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.584 -15.490 -6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.652 -14.172 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.129 -14.032 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.371 -16.212 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.697 -15.558 -7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.616 -17.037 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.558 -18.111 -10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.974 -18.476 -9.266 1.00 0.00 H new ATOM 155 N CYS A 13 -10.753 -13.343 -5.828 1.00 0.00 N ATOM 156 CA CYS A 13 -9.324 -13.596 -5.970 1.00 0.00 C ATOM 157 C CYS A 13 -8.522 -12.748 -4.988 1.00 0.00 C ATOM 158 O CYS A 13 -7.428 -13.129 -4.572 1.00 0.00 O ATOM 159 CB CYS A 13 -8.873 -13.303 -7.403 1.00 0.00 C ATOM 160 SG CYS A 13 -8.942 -11.540 -7.858 1.00 0.00 S ATOM 0 H CYS A 13 -11.084 -12.512 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.142 -14.647 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.851 -13.661 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.498 -13.870 -8.093 1.00 0.00 H new ATOM 165 N GLY A 14 -9.073 -11.595 -4.622 1.00 0.00 N ATOM 166 CA GLY A 14 -8.395 -10.711 -3.692 1.00 0.00 C ATOM 167 C GLY A 14 -7.601 -9.628 -4.396 1.00 0.00 C ATOM 168 O GLY A 14 -6.516 -9.255 -3.951 1.00 0.00 O ATOM 0 H GLY A 14 -9.977 -11.257 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.130 -10.248 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.726 -11.296 -3.061 1.00 0.00 H new ATOM 172 N LYS A 15 -8.142 -9.122 -5.499 1.00 0.00 N ATOM 173 CA LYS A 15 -7.478 -8.076 -6.267 1.00 0.00 C ATOM 174 C LYS A 15 -8.345 -6.824 -6.344 1.00 0.00 C ATOM 175 O LYS A 15 -9.542 -6.885 -6.623 1.00 0.00 O ATOM 176 CB LYS A 15 -7.158 -8.575 -7.678 1.00 0.00 C ATOM 177 CG LYS A 15 -6.055 -9.619 -7.718 1.00 0.00 C ATOM 178 CD LYS A 15 -4.679 -8.979 -7.663 1.00 0.00 C ATOM 179 CE LYS A 15 -4.135 -8.705 -9.057 1.00 0.00 C ATOM 180 NZ LYS A 15 -4.424 -7.313 -9.501 1.00 0.00 N ATOM 0 H LYS A 15 -9.040 -9.420 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.548 -7.822 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.061 -8.996 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.866 -7.727 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.172 -10.305 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.146 -10.211 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.733 -8.046 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.993 -9.634 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.058 -8.873 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.574 -9.410 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.984 -7.337 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.960 -6.817 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.530 -6.812 -9.676 1.00 0.00 H new ATOM 194 N PRO A 16 -7.728 -5.659 -6.093 1.00 0.00 N ATOM 195 CA PRO A 16 -8.425 -4.370 -6.130 1.00 0.00 C ATOM 196 C PRO A 16 -8.823 -3.967 -7.546 1.00 0.00 C ATOM 197 O PRO A 16 -8.505 -4.660 -8.512 1.00 0.00 O ATOM 198 CB PRO A 16 -7.392 -3.392 -5.565 1.00 0.00 C ATOM 199 CG PRO A 16 -6.075 -4.028 -5.847 1.00 0.00 C ATOM 200 CD PRO A 16 -6.303 -5.511 -5.754 1.00 0.00 C ATOM 0 HA PRO A 16 -9.359 -4.395 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.470 -2.415 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.536 -3.238 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.711 -3.750 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.323 -3.703 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.666 -6.060 -6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.086 -5.889 -4.755 1.00 0.00 H new ATOM 208 N GLY A 17 -9.519 -2.840 -7.662 1.00 0.00 N ATOM 209 CA GLY A 17 -9.948 -2.364 -8.964 1.00 0.00 C ATOM 210 C GLY A 17 -11.312 -2.896 -9.356 1.00 0.00 C ATOM 211 O GLY A 17 -12.136 -2.167 -9.907 1.00 0.00 O ATOM 0 H GLY A 17 -9.793 -2.248 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.975 -1.274 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.216 -2.661 -9.715 1.00 0.00 H new ATOM 215 N HIS A 18 -11.550 -4.173 -9.073 1.00 0.00 N ATOM 216 CA HIS A 18 -12.824 -4.804 -9.401 1.00 0.00 C ATOM 217 C HIS A 18 -13.420 -5.493 -8.177 1.00 0.00 C ATOM 218 O HIS A 18 -12.793 -5.552 -7.119 1.00 0.00 O ATOM 219 CB HIS A 18 -12.640 -5.816 -10.532 1.00 0.00 C ATOM 220 CG HIS A 18 -11.865 -7.032 -10.127 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.491 -7.111 -10.211 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.279 -8.221 -9.633 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.094 -8.297 -9.787 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.160 -8.990 -9.429 1.00 0.00 N ATOM 0 H HIS A 18 -10.878 -4.791 -8.618 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.513 -4.026 -9.729 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.620 -6.124 -10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.130 -5.330 -11.364 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.877 -6.369 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.300 -8.512 -9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.072 -8.642 -9.741 1.00 0.00 H new ATOM 232 N TYR A 19 -14.633 -6.013 -8.329 1.00 0.00 N ATOM 233 CA TYR A 19 -15.314 -6.695 -7.236 1.00 0.00 C ATOM 234 C TYR A 19 -15.532 -8.169 -7.565 1.00 0.00 C ATOM 235 O TYR A 19 -15.432 -8.579 -8.722 1.00 0.00 O ATOM 236 CB TYR A 19 -16.656 -6.023 -6.944 1.00 0.00 C ATOM 237 CG TYR A 19 -17.281 -5.367 -8.156 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.626 -4.344 -8.831 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.525 -5.769 -8.624 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.192 -3.742 -9.937 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.098 -5.173 -9.731 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.428 -4.160 -10.383 1.00 0.00 C ATOM 243 OH TYR A 19 -18.997 -3.563 -11.485 1.00 0.00 O ATOM 0 H TYR A 19 -15.164 -5.975 -9.199 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.682 -6.628 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.347 -6.767 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.515 -5.272 -6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.658 -4.014 -8.484 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.054 -6.561 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.670 -2.948 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.065 -5.499 -10.084 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.867 -3.975 -11.667 1.00 0.00 H new ATOM 253 N ILE A 20 -15.830 -8.960 -6.539 1.00 0.00 N ATOM 254 CA ILE A 20 -16.063 -10.387 -6.719 1.00 0.00 C ATOM 255 C ILE A 20 -17.114 -10.641 -7.795 1.00 0.00 C ATOM 256 O ILE A 20 -17.104 -11.681 -8.454 1.00 0.00 O ATOM 257 CB ILE A 20 -16.518 -11.053 -5.406 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.967 -12.492 -5.668 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.640 -10.250 -4.766 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.730 -13.421 -4.497 1.00 0.00 C ATOM 0 H ILE A 20 -15.916 -8.636 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.115 -10.825 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.675 -11.076 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.029 -12.494 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.437 -12.876 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -17.951 -10.733 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.288 -9.242 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.487 -10.199 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.072 -14.424 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.665 -13.449 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.282 -13.060 -3.629 1.00 0.00 H new ATOM 272 N LYS A 21 -18.019 -9.684 -7.968 1.00 0.00 N ATOM 273 CA LYS A 21 -19.075 -9.801 -8.966 1.00 0.00 C ATOM 274 C LYS A 21 -18.562 -9.412 -10.349 1.00 0.00 C ATOM 275 O LYS A 21 -19.044 -9.915 -11.364 1.00 0.00 O ATOM 276 CB LYS A 21 -20.265 -8.917 -8.585 1.00 0.00 C ATOM 277 CG LYS A 21 -20.420 -8.719 -7.087 1.00 0.00 C ATOM 278 CD LYS A 21 -21.806 -8.206 -6.734 1.00 0.00 C ATOM 279 CE LYS A 21 -22.869 -9.271 -6.959 1.00 0.00 C ATOM 280 NZ LYS A 21 -24.192 -8.858 -6.413 1.00 0.00 N ATOM 0 H LYS A 21 -18.042 -8.818 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.398 -10.842 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.151 -7.944 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.178 -9.361 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.239 -9.663 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.668 -8.014 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.823 -7.888 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.035 -7.328 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.963 -9.471 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.556 -10.202 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.889 -9.610 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.109 -8.692 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.503 -7.983 -6.881 1.00 0.00 H new ATOM 294 N ASN A 22 -17.582 -8.515 -10.382 1.00 0.00 N ATOM 295 CA ASN A 22 -17.003 -8.061 -11.641 1.00 0.00 C ATOM 296 C ASN A 22 -15.620 -8.668 -11.855 1.00 0.00 C ATOM 297 O ASN A 22 -14.834 -8.178 -12.665 1.00 0.00 O ATOM 298 CB ASN A 22 -16.911 -6.534 -11.662 1.00 0.00 C ATOM 299 CG ASN A 22 -16.163 -6.016 -12.875 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.501 -6.343 -14.013 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.140 -5.204 -12.637 1.00 0.00 N ATOM 0 H ASN A 22 -17.172 -8.088 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.654 -8.391 -12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.916 -6.112 -11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.411 -6.190 -10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.599 -4.824 -13.414 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.895 -4.960 -11.677 1.00 0.00 H new ATOM 308 N CYS A 23 -15.330 -9.738 -11.123 1.00 0.00 N ATOM 309 CA CYS A 23 -14.043 -10.414 -11.231 1.00 0.00 C ATOM 310 C CYS A 23 -13.934 -11.168 -12.553 1.00 0.00 C ATOM 311 O CYS A 23 -14.853 -11.872 -12.973 1.00 0.00 O ATOM 312 CB CYS A 23 -13.852 -11.382 -10.062 1.00 0.00 C ATOM 313 SG CYS A 23 -12.209 -12.169 -10.009 1.00 0.00 S ATOM 0 H CYS A 23 -15.970 -10.156 -10.448 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.259 -9.657 -11.199 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.016 -10.844 -9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.614 -12.159 -10.120 1.00 0.00 H new ATOM 318 N PRO A 24 -12.784 -11.018 -13.227 1.00 0.00 N ATOM 319 CA PRO A 24 -12.526 -11.677 -14.510 1.00 0.00 C ATOM 320 C PRO A 24 -12.358 -13.186 -14.364 1.00 0.00 C ATOM 321 O PRO A 24 -12.881 -13.961 -15.165 1.00 0.00 O ATOM 322 CB PRO A 24 -11.218 -11.037 -14.982 1.00 0.00 C ATOM 323 CG PRO A 24 -10.544 -10.587 -13.732 1.00 0.00 C ATOM 324 CD PRO A 24 -11.645 -10.194 -12.786 1.00 0.00 C ATOM 0 HA PRO A 24 -13.355 -11.549 -15.207 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.602 -11.751 -15.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.407 -10.199 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.933 -11.384 -13.310 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.879 -9.746 -13.928 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.377 -10.400 -11.750 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.870 -9.129 -12.851 1.00 0.00 H new ATOM 332 N THR A 25 -11.624 -13.598 -13.335 1.00 0.00 N ATOM 333 CA THR A 25 -11.386 -15.013 -13.084 1.00 0.00 C ATOM 334 C THR A 25 -12.652 -15.832 -13.310 1.00 0.00 C ATOM 335 O THR A 25 -12.591 -16.972 -13.769 1.00 0.00 O ATOM 336 CB THR A 25 -10.883 -15.253 -11.647 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.966 -15.115 -10.720 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.776 -14.272 -11.291 1.00 0.00 C ATOM 0 H THR A 25 -11.184 -12.971 -12.662 1.00 0.00 H new ATOM 0 HA THR A 25 -10.618 -15.333 -13.788 1.00 0.00 H new ATOM 0 HB THR A 25 -10.483 -16.265 -11.589 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.307 -14.197 -10.750 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.437 -14.460 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.942 -14.399 -11.981 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.156 -13.253 -11.364 1.00 0.00 H new ATOM 346 N ASN A 26 -13.798 -15.243 -12.985 1.00 0.00 N ATOM 347 CA ASN A 26 -15.079 -15.919 -13.153 1.00 0.00 C ATOM 348 C ASN A 26 -15.096 -16.742 -14.438 1.00 0.00 C ATOM 349 O ASN A 26 -15.606 -17.861 -14.464 1.00 0.00 O ATOM 350 CB ASN A 26 -16.219 -14.898 -13.174 1.00 0.00 C ATOM 351 CG ASN A 26 -16.694 -14.533 -11.780 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.652 -15.111 -11.268 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.022 -13.570 -11.160 1.00 0.00 N ATOM 0 H ASN A 26 -13.866 -14.299 -12.604 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.219 -16.594 -12.308 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.887 -13.997 -13.689 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.055 -15.302 -13.745 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.294 -13.282 -10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.234 -13.118 -11.624 1.00 0.00 H new ATOM 360 N GLY A 27 -14.533 -16.179 -15.502 1.00 0.00 N ATOM 361 CA GLY A 27 -14.492 -16.874 -16.776 1.00 0.00 C ATOM 362 C GLY A 27 -13.077 -17.158 -17.237 1.00 0.00 C ATOM 363 O GLY A 27 -12.729 -16.901 -18.390 1.00 0.00 O ATOM 0 H GLY A 27 -14.104 -15.254 -15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.038 -17.813 -16.691 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.003 -16.275 -17.530 1.00 0.00 H new ATOM 367 N ASP A 28 -12.257 -17.686 -16.335 1.00 0.00 N ATOM 368 CA ASP A 28 -10.870 -18.004 -16.655 1.00 0.00 C ATOM 369 C ASP A 28 -10.390 -19.210 -15.854 1.00 0.00 C ATOM 370 O ASP A 28 -10.959 -19.545 -14.814 1.00 0.00 O ATOM 371 CB ASP A 28 -9.971 -16.799 -16.376 1.00 0.00 C ATOM 372 CG ASP A 28 -10.228 -15.651 -17.331 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.184 -14.884 -17.093 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.474 -15.519 -18.318 1.00 0.00 O ATOM 0 H ASP A 28 -12.529 -17.903 -15.376 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.815 -18.250 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.131 -16.459 -15.353 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.927 -17.103 -16.451 1.00 0.00 H new ATOM 379 N LYS A 29 -9.340 -19.860 -16.345 1.00 0.00 N ATOM 380 CA LYS A 29 -8.782 -21.029 -15.675 1.00 0.00 C ATOM 381 C LYS A 29 -7.574 -20.645 -14.827 1.00 0.00 C ATOM 382 O LYS A 29 -7.590 -20.794 -13.606 1.00 0.00 O ATOM 383 CB LYS A 29 -8.381 -22.089 -16.704 1.00 0.00 C ATOM 384 CG LYS A 29 -9.551 -22.905 -17.226 1.00 0.00 C ATOM 385 CD LYS A 29 -10.128 -22.303 -18.496 1.00 0.00 C ATOM 386 CE LYS A 29 -11.264 -21.340 -18.191 1.00 0.00 C ATOM 387 NZ LYS A 29 -12.164 -21.153 -19.363 1.00 0.00 N ATOM 0 H LYS A 29 -8.858 -19.597 -17.205 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.548 -21.441 -15.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.887 -21.600 -17.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.652 -22.762 -16.254 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.225 -23.926 -17.422 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.327 -22.959 -16.463 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.343 -21.779 -19.041 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.490 -23.100 -19.146 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.841 -21.716 -17.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.852 -20.376 -17.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.925 -20.490 -19.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.619 -20.770 -20.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.577 -22.068 -19.633 1.00 0.00 H new ATOM 401 N ASN A 30 -6.530 -20.150 -15.483 1.00 0.00 N ATOM 402 CA ASN A 30 -5.314 -19.744 -14.788 1.00 0.00 C ATOM 403 C ASN A 30 -5.110 -18.235 -14.884 1.00 0.00 C ATOM 404 O ASN A 30 -4.681 -17.720 -15.917 1.00 0.00 O ATOM 405 CB ASN A 30 -4.101 -20.472 -15.371 1.00 0.00 C ATOM 406 CG ASN A 30 -4.232 -21.980 -15.279 1.00 0.00 C ATOM 407 OD1 ASN A 30 -4.176 -22.554 -14.191 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.407 -22.629 -16.424 1.00 0.00 N ATOM 0 H ASN A 30 -6.501 -20.020 -16.494 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.420 -20.012 -13.737 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.975 -20.184 -16.415 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.202 -20.155 -14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.501 -23.645 -16.425 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.447 -22.112 -17.302 1.00 0.00 H new ATOM 415 N PHE A 31 -5.421 -17.531 -13.800 1.00 0.00 N ATOM 416 CA PHE A 31 -5.273 -16.081 -13.762 1.00 0.00 C ATOM 417 C PHE A 31 -3.801 -15.683 -13.823 1.00 0.00 C ATOM 418 O PHE A 31 -3.452 -14.639 -14.374 1.00 0.00 O ATOM 419 CB PHE A 31 -5.913 -15.515 -12.493 1.00 0.00 C ATOM 420 CG PHE A 31 -5.836 -16.445 -11.316 1.00 0.00 C ATOM 421 CD1 PHE A 31 -4.615 -16.757 -10.742 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.985 -17.008 -10.785 1.00 0.00 C ATOM 423 CE1 PHE A 31 -4.540 -17.612 -9.659 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.917 -17.864 -9.702 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.693 -18.167 -9.139 1.00 0.00 C ATOM 0 H PHE A 31 -5.777 -17.941 -12.937 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.780 -15.666 -14.633 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.423 -14.576 -12.236 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.959 -15.284 -12.695 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.710 -16.327 -11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.945 -16.775 -11.222 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.581 -17.846 -9.220 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.820 -18.295 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.637 -18.837 -8.294 1.00 0.00 H new ATOM 435 N GLU A 32 -2.942 -16.523 -13.253 1.00 0.00 N ATOM 436 CA GLU A 32 -1.509 -16.257 -13.241 1.00 0.00 C ATOM 437 C GLU A 32 -0.952 -16.213 -14.661 1.00 0.00 C ATOM 438 O GLU A 32 -0.133 -15.355 -14.992 1.00 0.00 O ATOM 439 CB GLU A 32 -0.776 -17.327 -12.428 1.00 0.00 C ATOM 440 CG GLU A 32 0.728 -17.123 -12.371 1.00 0.00 C ATOM 441 CD GLU A 32 1.112 -15.718 -11.948 1.00 0.00 C ATOM 442 OE1 GLU A 32 0.569 -15.237 -10.931 1.00 0.00 O ATOM 443 OE2 GLU A 32 1.953 -15.101 -12.633 1.00 0.00 O ATOM 0 H GLU A 32 -3.214 -17.392 -12.794 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.350 -15.284 -12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.172 -17.335 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.985 -18.306 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.162 -17.839 -11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.157 -17.333 -13.351 1.00 0.00 H new ATOM 450 N SER A 33 -1.403 -17.143 -15.497 1.00 0.00 N ATOM 451 CA SER A 33 -0.948 -17.213 -16.880 1.00 0.00 C ATOM 452 C SER A 33 -2.108 -16.990 -17.846 1.00 0.00 C ATOM 453 O SER A 33 -3.019 -17.811 -17.940 1.00 0.00 O ATOM 454 CB SER A 33 -0.294 -18.569 -17.156 1.00 0.00 C ATOM 455 OG SER A 33 -1.166 -19.634 -16.819 1.00 0.00 O ATOM 0 H SER A 33 -2.083 -17.858 -15.240 1.00 0.00 H new ATOM 0 HA SER A 33 -0.212 -16.424 -17.035 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.022 -18.637 -18.209 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.629 -18.655 -16.582 1.00 0.00 H new ATOM 0 HG SER A 33 -2.087 -19.386 -17.043 1.00 0.00 H new ATOM 461 N GLY A 34 -2.065 -15.871 -18.563 1.00 0.00 N ATOM 462 CA GLY A 34 -3.118 -15.558 -19.512 1.00 0.00 C ATOM 463 C GLY A 34 -2.886 -14.237 -20.219 1.00 0.00 C ATOM 464 O GLY A 34 -2.642 -13.207 -19.591 1.00 0.00 O ATOM 0 H GLY A 34 -1.321 -15.176 -18.504 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.185 -16.356 -20.252 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.075 -15.525 -18.991 1.00 0.00 H new ATOM 468 N PRO A 35 -2.962 -14.257 -21.558 1.00 0.00 N ATOM 469 CA PRO A 35 -2.761 -13.060 -22.380 1.00 0.00 C ATOM 470 C PRO A 35 -3.901 -12.058 -22.234 1.00 0.00 C ATOM 471 O PRO A 35 -3.914 -11.019 -22.893 1.00 0.00 O ATOM 472 CB PRO A 35 -2.716 -13.614 -23.807 1.00 0.00 C ATOM 473 CG PRO A 35 -3.491 -14.885 -23.745 1.00 0.00 C ATOM 474 CD PRO A 35 -3.250 -15.450 -22.373 1.00 0.00 C ATOM 0 HA PRO A 35 -1.863 -12.513 -22.091 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.158 -12.915 -24.517 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.690 -13.791 -24.131 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.553 -14.703 -23.911 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.162 -15.581 -24.517 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.121 -15.989 -22.002 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.415 -16.151 -22.368 1.00 0.00 H new ATOM 482 N ARG A 36 -4.854 -12.377 -21.365 1.00 0.00 N ATOM 483 CA ARG A 36 -5.999 -11.504 -21.132 1.00 0.00 C ATOM 484 C ARG A 36 -5.542 -10.090 -20.784 1.00 0.00 C ATOM 485 O ARG A 36 -4.494 -9.900 -20.166 1.00 0.00 O ATOM 486 CB ARG A 36 -6.872 -12.061 -20.006 1.00 0.00 C ATOM 487 CG ARG A 36 -8.123 -11.239 -19.742 1.00 0.00 C ATOM 488 CD ARG A 36 -9.209 -11.533 -20.765 1.00 0.00 C ATOM 489 NE ARG A 36 -10.452 -10.830 -20.460 1.00 0.00 N ATOM 490 CZ ARG A 36 -11.373 -11.295 -19.623 1.00 0.00 C ATOM 491 NH1 ARG A 36 -11.190 -12.457 -19.011 1.00 0.00 N ATOM 492 NH2 ARG A 36 -12.479 -10.598 -19.397 1.00 0.00 N ATOM 0 H ARG A 36 -4.856 -13.233 -20.811 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.585 -11.463 -22.050 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.164 -13.081 -20.255 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.281 -12.112 -19.091 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.497 -11.454 -18.741 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.875 -10.178 -19.768 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.862 -11.242 -21.756 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.397 -12.606 -20.796 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.622 -9.933 -20.914 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.341 -12.996 -19.182 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.898 -12.812 -18.369 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.623 -9.704 -19.866 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.185 -10.956 -18.754 1.00 0.00 H new ATOM 506 N ILE A 37 -6.335 -9.102 -21.184 1.00 0.00 N ATOM 507 CA ILE A 37 -6.012 -7.707 -20.914 1.00 0.00 C ATOM 508 C ILE A 37 -7.026 -7.083 -19.961 1.00 0.00 C ATOM 509 O ILE A 37 -8.208 -7.427 -19.981 1.00 0.00 O ATOM 510 CB ILE A 37 -5.967 -6.878 -22.211 1.00 0.00 C ATOM 511 CG1 ILE A 37 -5.395 -5.486 -21.933 1.00 0.00 C ATOM 512 CG2 ILE A 37 -7.356 -6.774 -22.822 1.00 0.00 C ATOM 513 CD1 ILE A 37 -3.884 -5.437 -21.960 1.00 0.00 C ATOM 0 H ILE A 37 -7.206 -9.242 -21.696 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.025 -7.696 -20.451 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.315 -7.382 -22.924 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.786 -4.787 -22.672 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.744 -5.147 -20.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.307 -6.185 -23.738 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.728 -7.772 -23.052 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.029 -6.290 -22.115 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.549 -4.420 -21.755 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.485 -6.110 -21.202 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.527 -5.745 -22.943 1.00 0.00 H new ATOM 525 N LYS A 38 -6.556 -6.161 -19.127 1.00 0.00 N ATOM 526 CA LYS A 38 -7.421 -5.485 -18.167 1.00 0.00 C ATOM 527 C LYS A 38 -7.733 -4.063 -18.623 1.00 0.00 C ATOM 528 O LYS A 38 -6.828 -3.256 -18.837 1.00 0.00 O ATOM 529 CB LYS A 38 -6.761 -5.456 -16.787 1.00 0.00 C ATOM 530 CG LYS A 38 -5.319 -4.980 -16.812 1.00 0.00 C ATOM 531 CD LYS A 38 -4.349 -6.146 -16.909 1.00 0.00 C ATOM 532 CE LYS A 38 -2.910 -5.665 -17.016 1.00 0.00 C ATOM 533 NZ LYS A 38 -2.690 -4.842 -18.238 1.00 0.00 N ATOM 0 H LYS A 38 -5.580 -5.865 -19.097 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.356 -6.041 -18.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.338 -4.805 -16.131 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.797 -6.456 -16.355 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.170 -4.310 -17.659 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.109 -4.405 -15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.456 -6.784 -16.032 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.596 -6.755 -17.779 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.656 -5.079 -16.133 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.240 -6.525 -17.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.670 -4.761 -18.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.154 -5.296 -19.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.092 -3.894 -18.095 1.00 0.00 H new ATOM 547 N LYS A 39 -9.019 -3.762 -18.768 1.00 0.00 N ATOM 548 CA LYS A 39 -9.451 -2.437 -19.196 1.00 0.00 C ATOM 549 C LYS A 39 -9.679 -1.525 -17.994 1.00 0.00 C ATOM 550 O LYS A 39 -9.180 -0.400 -17.954 1.00 0.00 O ATOM 551 CB LYS A 39 -10.735 -2.539 -20.022 1.00 0.00 C ATOM 552 CG LYS A 39 -11.236 -1.200 -20.535 1.00 0.00 C ATOM 553 CD LYS A 39 -10.701 -0.900 -21.925 1.00 0.00 C ATOM 554 CE LYS A 39 -9.305 -0.297 -21.867 1.00 0.00 C ATOM 555 NZ LYS A 39 -8.246 -1.340 -21.954 1.00 0.00 N ATOM 0 H LYS A 39 -9.781 -4.418 -18.595 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.662 -2.006 -19.813 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.560 -3.201 -20.870 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.513 -3.000 -19.413 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.326 -1.202 -20.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.932 -0.410 -19.849 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.678 -1.817 -22.513 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.375 -0.212 -22.435 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.182 0.414 -22.684 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.189 0.262 -20.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.498 -1.134 -21.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.659 -2.272 -21.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.840 -1.344 -22.912 1.00 0.00 H new ATOM 569 N SER A 40 -10.433 -2.017 -17.017 1.00 0.00 N ATOM 570 CA SER A 40 -10.728 -1.246 -15.816 1.00 0.00 C ATOM 571 C SER A 40 -9.448 -0.919 -15.052 1.00 0.00 C ATOM 572 O SER A 40 -8.756 -1.814 -14.565 1.00 0.00 O ATOM 573 CB SER A 40 -11.692 -2.017 -14.912 1.00 0.00 C ATOM 574 OG SER A 40 -11.997 -1.277 -13.743 1.00 0.00 O ATOM 0 H SER A 40 -10.851 -2.947 -17.034 1.00 0.00 H new ATOM 0 HA SER A 40 -11.198 -0.311 -16.121 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.610 -2.236 -15.457 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.249 -2.974 -14.635 1.00 0.00 H new ATOM 0 HG SER A 40 -12.616 -1.791 -13.183 1.00 0.00 H new ATOM 580 N THR A 41 -9.139 0.370 -14.951 1.00 0.00 N ATOM 581 CA THR A 41 -7.943 0.816 -14.249 1.00 0.00 C ATOM 582 C THR A 41 -8.258 1.972 -13.306 1.00 0.00 C ATOM 583 O THR A 41 -8.861 2.966 -13.707 1.00 0.00 O ATOM 584 CB THR A 41 -6.844 1.257 -15.234 1.00 0.00 C ATOM 585 OG1 THR A 41 -6.498 0.171 -16.100 1.00 0.00 O ATOM 586 CG2 THR A 41 -5.606 1.732 -14.488 1.00 0.00 C ATOM 0 H THR A 41 -9.701 1.123 -15.347 1.00 0.00 H new ATOM 0 HA THR A 41 -7.581 -0.034 -13.670 1.00 0.00 H new ATOM 0 HB THR A 41 -7.231 2.086 -15.827 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.261 -0.044 -16.676 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.844 2.038 -15.205 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.867 2.578 -13.852 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.219 0.921 -13.872 1.00 0.00 H new ATOM 594 N GLY A 42 -7.844 1.835 -12.050 1.00 0.00 N ATOM 595 CA GLY A 42 -8.091 2.876 -11.069 1.00 0.00 C ATOM 596 C GLY A 42 -7.560 4.225 -11.510 1.00 0.00 C ATOM 597 O GLY A 42 -6.449 4.321 -12.034 1.00 0.00 O ATOM 0 H GLY A 42 -7.342 1.022 -11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.163 2.953 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.626 2.597 -10.123 1.00 0.00 H new ATOM 601 N ILE A 43 -8.354 5.270 -11.300 1.00 0.00 N ATOM 602 CA ILE A 43 -7.956 6.620 -11.681 1.00 0.00 C ATOM 603 C ILE A 43 -7.755 7.500 -10.452 1.00 0.00 C ATOM 604 O ILE A 43 -8.375 7.301 -9.407 1.00 0.00 O ATOM 605 CB ILE A 43 -9.001 7.275 -12.603 1.00 0.00 C ATOM 606 CG1 ILE A 43 -10.359 7.347 -11.901 1.00 0.00 C ATOM 607 CG2 ILE A 43 -9.114 6.504 -13.909 1.00 0.00 C ATOM 608 CD1 ILE A 43 -11.374 8.197 -12.633 1.00 0.00 C ATOM 0 H ILE A 43 -9.276 5.208 -10.868 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.013 6.532 -12.220 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.676 8.290 -12.831 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.755 6.338 -11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.219 7.747 -10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.857 6.980 -14.549 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.148 6.500 -14.414 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.418 5.478 -13.701 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.312 8.202 -12.078 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.999 9.217 -12.721 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.543 7.785 -13.628 1.00 0.00 H new ATOM 620 N PRO A 44 -6.869 8.499 -10.579 1.00 0.00 N ATOM 621 CA PRO A 44 -6.567 9.432 -9.490 1.00 0.00 C ATOM 622 C PRO A 44 -7.730 10.371 -9.191 1.00 0.00 C ATOM 623 O PRO A 44 -7.739 11.522 -9.628 1.00 0.00 O ATOM 624 CB PRO A 44 -5.366 10.220 -10.020 1.00 0.00 C ATOM 625 CG PRO A 44 -5.485 10.138 -11.503 1.00 0.00 C ATOM 626 CD PRO A 44 -6.094 8.795 -11.796 1.00 0.00 C ATOM 0 HA PRO A 44 -6.373 8.913 -8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.389 11.255 -9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.426 9.790 -9.674 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.110 10.943 -11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.509 10.236 -11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.731 8.827 -12.680 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.331 8.039 -11.980 1.00 0.00 H new ATOM 634 N ARG A 45 -8.710 9.873 -8.445 1.00 0.00 N ATOM 635 CA ARG A 45 -9.880 10.668 -8.089 1.00 0.00 C ATOM 636 C ARG A 45 -10.413 10.266 -6.717 1.00 0.00 C ATOM 637 O ARG A 45 -10.363 9.096 -6.339 1.00 0.00 O ATOM 638 CB ARG A 45 -10.976 10.502 -9.143 1.00 0.00 C ATOM 639 CG ARG A 45 -10.556 10.947 -10.534 1.00 0.00 C ATOM 640 CD ARG A 45 -11.741 11.462 -11.336 1.00 0.00 C ATOM 641 NE ARG A 45 -11.380 11.754 -12.721 1.00 0.00 N ATOM 642 CZ ARG A 45 -12.017 12.643 -13.474 1.00 0.00 C ATOM 643 NH1 ARG A 45 -13.041 13.324 -12.979 1.00 0.00 N ATOM 644 NH2 ARG A 45 -11.629 12.853 -14.726 1.00 0.00 N ATOM 0 H ARG A 45 -8.718 8.923 -8.075 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.579 11.715 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.276 9.455 -9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.852 11.074 -8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.802 11.730 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.094 10.112 -11.061 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.540 10.721 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.132 12.364 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.596 11.247 -13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.342 13.166 -12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.528 14.006 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.841 12.331 -15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.119 13.536 -15.304 1.00 0.00 H new ATOM 658 N SER A 46 -10.923 11.245 -5.976 1.00 0.00 N ATOM 659 CA SER A 46 -11.462 10.995 -4.644 1.00 0.00 C ATOM 660 C SER A 46 -12.614 11.946 -4.337 1.00 0.00 C ATOM 661 O SER A 46 -12.570 13.126 -4.686 1.00 0.00 O ATOM 662 CB SER A 46 -10.364 11.148 -3.590 1.00 0.00 C ATOM 663 OG SER A 46 -9.605 9.957 -3.467 1.00 0.00 O ATOM 0 H SER A 46 -10.974 12.219 -6.276 1.00 0.00 H new ATOM 0 HA SER A 46 -11.841 9.973 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.708 11.975 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.811 11.399 -2.628 1.00 0.00 H new ATOM 0 HG SER A 46 -9.694 9.426 -4.286 1.00 0.00 H new ATOM 669 N PHE A 47 -13.645 11.424 -3.681 1.00 0.00 N ATOM 670 CA PHE A 47 -14.811 12.226 -3.327 1.00 0.00 C ATOM 671 C PHE A 47 -15.007 12.261 -1.814 1.00 0.00 C ATOM 672 O PHE A 47 -14.824 11.254 -1.130 1.00 0.00 O ATOM 673 CB PHE A 47 -16.065 11.667 -4.002 1.00 0.00 C ATOM 674 CG PHE A 47 -16.293 12.209 -5.384 1.00 0.00 C ATOM 675 CD1 PHE A 47 -16.428 13.572 -5.595 1.00 0.00 C ATOM 676 CD2 PHE A 47 -16.375 11.356 -6.473 1.00 0.00 C ATOM 677 CE1 PHE A 47 -16.637 14.075 -6.865 1.00 0.00 C ATOM 678 CE2 PHE A 47 -16.584 11.853 -7.745 1.00 0.00 C ATOM 679 CZ PHE A 47 -16.717 13.213 -7.942 1.00 0.00 C ATOM 0 H PHE A 47 -13.697 10.450 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.641 13.244 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.986 10.581 -4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -16.933 11.894 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.369 14.250 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.274 10.291 -6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.738 15.140 -7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -16.643 11.177 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.883 13.602 -8.936 1.00 0.00 H new ATOM 689 N MET A 48 -15.380 13.427 -1.298 1.00 0.00 N ATOM 690 CA MET A 48 -15.602 13.594 0.133 1.00 0.00 C ATOM 691 C MET A 48 -17.093 13.646 0.450 1.00 0.00 C ATOM 692 O MET A 48 -17.772 14.619 0.124 1.00 0.00 O ATOM 693 CB MET A 48 -14.917 14.868 0.632 1.00 0.00 C ATOM 694 CG MET A 48 -13.400 14.800 0.588 1.00 0.00 C ATOM 695 SD MET A 48 -12.741 15.070 -1.069 1.00 0.00 S ATOM 696 CE MET A 48 -13.004 16.831 -1.256 1.00 0.00 C ATOM 0 H MET A 48 -15.535 14.271 -1.850 1.00 0.00 H new ATOM 0 HA MET A 48 -15.170 12.734 0.645 1.00 0.00 H new ATOM 0 HB2 MET A 48 -15.252 15.711 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 48 -15.234 15.064 1.656 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.987 15.547 1.265 1.00 0.00 H new ATOM 0 HG3 MET A 48 -13.073 13.825 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.379 17.208 -2.065 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.052 17.020 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.741 17.339 -0.328 1.00 0.00 H new ATOM 706 N MET A 49 -17.595 12.594 1.087 1.00 0.00 N ATOM 707 CA MET A 49 -19.006 12.521 1.448 1.00 0.00 C ATOM 708 C MET A 49 -19.195 12.729 2.947 1.00 0.00 C ATOM 709 O MET A 49 -20.238 12.387 3.503 1.00 0.00 O ATOM 710 CB MET A 49 -19.593 11.172 1.030 1.00 0.00 C ATOM 711 CG MET A 49 -19.965 11.101 -0.442 1.00 0.00 C ATOM 712 SD MET A 49 -18.572 10.638 -1.489 1.00 0.00 S ATOM 713 CE MET A 49 -18.333 8.932 -1.000 1.00 0.00 C ATOM 0 H MET A 49 -17.046 11.780 1.364 1.00 0.00 H new ATOM 0 HA MET A 49 -19.532 13.316 0.920 1.00 0.00 H new ATOM 0 HB2 MET A 49 -18.871 10.386 1.252 1.00 0.00 H new ATOM 0 HB3 MET A 49 -20.480 10.969 1.631 1.00 0.00 H new ATOM 0 HG2 MET A 49 -20.770 10.378 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 49 -20.349 12.069 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 49 -17.851 8.385 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 49 -17.703 8.893 -0.111 1.00 0.00 H new ATOM 0 HE3 MET A 49 -19.299 8.478 -0.780 1.00 0.00 H new ATOM 723 N GLU A 50 -18.179 13.290 3.596 1.00 0.00 N ATOM 724 CA GLU A 50 -18.235 13.540 5.031 1.00 0.00 C ATOM 725 C GLU A 50 -19.036 14.804 5.332 1.00 0.00 C ATOM 726 O GLU A 50 -18.992 15.330 6.444 1.00 0.00 O ATOM 727 CB GLU A 50 -16.822 13.671 5.603 1.00 0.00 C ATOM 728 CG GLU A 50 -16.739 13.383 7.093 1.00 0.00 C ATOM 729 CD GLU A 50 -15.355 12.940 7.526 1.00 0.00 C ATOM 730 OE1 GLU A 50 -14.696 12.216 6.752 1.00 0.00 O ATOM 731 OE2 GLU A 50 -14.932 13.318 8.639 1.00 0.00 O ATOM 0 H GLU A 50 -17.308 13.580 3.151 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.734 12.693 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.159 12.988 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.455 14.680 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.020 14.278 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.461 12.608 7.350 1.00 0.00 H new ATOM 738 N VAL A 51 -19.767 15.286 4.332 1.00 0.00 N ATOM 739 CA VAL A 51 -20.578 16.487 4.489 1.00 0.00 C ATOM 740 C VAL A 51 -21.984 16.142 4.968 1.00 0.00 C ATOM 741 O VAL A 51 -22.899 16.961 4.883 1.00 0.00 O ATOM 742 CB VAL A 51 -20.677 17.274 3.168 1.00 0.00 C ATOM 743 CG1 VAL A 51 -19.298 17.721 2.708 1.00 0.00 C ATOM 744 CG2 VAL A 51 -21.359 16.435 2.098 1.00 0.00 C ATOM 0 H VAL A 51 -19.814 14.863 3.405 1.00 0.00 H new ATOM 0 HA VAL A 51 -20.084 17.107 5.237 1.00 0.00 H new ATOM 0 HB VAL A 51 -21.282 18.164 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -19.388 18.275 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.851 18.362 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -18.665 16.847 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -21.420 17.006 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -20.783 15.526 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -22.363 16.170 2.428 1.00 0.00 H new ATOM 754 N LYS A 52 -22.148 14.925 5.474 1.00 0.00 N ATOM 755 CA LYS A 52 -23.441 14.470 5.970 1.00 0.00 C ATOM 756 C LYS A 52 -23.270 13.570 7.190 1.00 0.00 C ATOM 757 O LYS A 52 -22.483 12.624 7.170 1.00 0.00 O ATOM 758 CB LYS A 52 -24.196 13.718 4.871 1.00 0.00 C ATOM 759 CG LYS A 52 -25.586 13.268 5.287 1.00 0.00 C ATOM 760 CD LYS A 52 -26.567 14.428 5.300 1.00 0.00 C ATOM 761 CE LYS A 52 -26.956 14.844 3.890 1.00 0.00 C ATOM 762 NZ LYS A 52 -27.904 15.993 3.892 1.00 0.00 N ATOM 0 H LYS A 52 -21.401 14.235 5.551 1.00 0.00 H new ATOM 0 HA LYS A 52 -24.018 15.347 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -24.278 14.360 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.614 12.845 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -25.941 12.498 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -25.542 12.817 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -27.460 14.144 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -26.123 15.276 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -26.060 15.113 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -27.411 13.998 3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -28.145 16.246 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -28.770 15.728 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -27.460 16.808 4.361 1.00 0.00 H new ATOM 776 N ASP A 53 -24.013 13.871 8.249 1.00 0.00 N ATOM 777 CA ASP A 53 -23.946 13.088 9.478 1.00 0.00 C ATOM 778 C ASP A 53 -24.549 11.702 9.273 1.00 0.00 C ATOM 779 O ASP A 53 -25.572 11.535 8.607 1.00 0.00 O ATOM 780 CB ASP A 53 -24.675 13.813 10.611 1.00 0.00 C ATOM 781 CG ASP A 53 -24.295 13.279 11.978 1.00 0.00 C ATOM 782 OD1 ASP A 53 -23.294 13.761 12.547 1.00 0.00 O ATOM 783 OD2 ASP A 53 -25.001 12.379 12.479 1.00 0.00 O ATOM 0 H ASP A 53 -24.669 14.652 8.282 1.00 0.00 H new ATOM 0 HA ASP A 53 -22.896 12.971 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -24.447 14.878 10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -25.751 13.711 10.471 1.00 0.00 H new ATOM 788 N PRO A 54 -23.903 10.682 9.857 1.00 0.00 N ATOM 789 CA PRO A 54 -24.357 9.293 9.752 1.00 0.00 C ATOM 790 C PRO A 54 -25.648 9.045 10.525 1.00 0.00 C ATOM 791 O PRO A 54 -26.140 7.919 10.585 1.00 0.00 O ATOM 792 CB PRO A 54 -23.204 8.495 10.366 1.00 0.00 C ATOM 793 CG PRO A 54 -22.536 9.449 11.294 1.00 0.00 C ATOM 794 CD PRO A 54 -22.678 10.808 10.665 1.00 0.00 C ATOM 0 HA PRO A 54 -24.585 9.015 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -23.569 7.616 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -22.515 8.141 9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -23.001 9.425 12.280 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -21.486 9.190 11.430 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -22.771 11.591 11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -21.814 11.058 10.049 1.00 0.00 H new ATOM 802 N ASN A 55 -26.191 10.105 11.115 1.00 0.00 N ATOM 803 CA ASN A 55 -27.426 10.002 11.885 1.00 0.00 C ATOM 804 C ASN A 55 -28.304 11.231 11.671 1.00 0.00 C ATOM 805 O ASN A 55 -27.808 12.351 11.775 1.00 0.00 O ATOM 806 CB ASN A 55 -27.111 9.838 13.373 1.00 0.00 C ATOM 807 CG ASN A 55 -26.813 8.398 13.746 1.00 0.00 C ATOM 808 OD1 ASN A 55 -25.773 8.101 14.333 1.00 0.00 O ATOM 809 ND2 ASN A 55 -27.727 7.498 13.405 1.00 0.00 N ATOM 0 H ASN A 55 -25.796 11.045 11.075 1.00 0.00 H new ATOM 0 HA ASN A 55 -27.970 9.124 11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -26.255 10.462 13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -27.956 10.196 13.962 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -27.582 6.514 13.629 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -28.575 7.791 12.919 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.974 -10.925 -8.628 1.00 0.00 ZN