USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=15 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 62:sc= 0.83 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 15 LYS NZ :NH3+ 141:sc= -0.637 (180deg=-2.19!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= -0.0391 (180deg=-0.943) USER MOD Single : A 22 ASN : amide:sc= -1.35! C(o=-1.4!,f=-1.4!) USER MOD Single : A 25 THR OG1 : rot -41:sc= 1.14 USER MOD Single : A 26 ASN : amide:sc= -8.85! C(o=-8.8!,f=-15!) 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 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.0627 (180deg=-0.35) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.861 K(o=-0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.211 0.545 4.118 1.00 0.00 N ATOM 2 CA GLY A 1 -2.422 0.523 3.319 1.00 0.00 C ATOM 3 C GLY A 1 -3.069 -0.847 3.285 1.00 0.00 C ATOM 4 O GLY A 1 -4.273 -0.978 3.505 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.807 1.503 4.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.436 0.273 5.096 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.521 -0.125 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.132 1.247 3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.188 0.836 2.302 1.00 0.00 H new ATOM 8 N SER A 2 -2.269 -1.871 3.007 1.00 0.00 N ATOM 9 CA SER A 2 -2.772 -3.238 2.939 1.00 0.00 C ATOM 10 C SER A 2 -3.456 -3.631 4.245 1.00 0.00 C ATOM 11 O SER A 2 -4.636 -3.981 4.260 1.00 0.00 O ATOM 12 CB SER A 2 -1.630 -4.210 2.636 1.00 0.00 C ATOM 13 OG SER A 2 -1.100 -3.987 1.341 1.00 0.00 O ATOM 0 H SER A 2 -1.269 -1.780 2.825 1.00 0.00 H new ATOM 0 HA SER A 2 -3.506 -3.289 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.842 -4.093 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.991 -5.236 2.713 1.00 0.00 H new ATOM 0 HG SER A 2 -0.371 -4.620 1.173 1.00 0.00 H new ATOM 19 N SER A 3 -2.706 -3.569 5.341 1.00 0.00 N ATOM 20 CA SER A 3 -3.237 -3.921 6.652 1.00 0.00 C ATOM 21 C SER A 3 -4.673 -3.428 6.806 1.00 0.00 C ATOM 22 O SER A 3 -5.572 -4.198 7.143 1.00 0.00 O ATOM 23 CB SER A 3 -2.361 -3.328 7.757 1.00 0.00 C ATOM 24 OG SER A 3 -1.264 -4.176 8.048 1.00 0.00 O ATOM 0 H SER A 3 -1.728 -3.278 5.346 1.00 0.00 H new ATOM 0 HA SER A 3 -3.232 -5.008 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.996 -2.348 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.957 -3.178 8.657 1.00 0.00 H new ATOM 0 HG SER A 3 -0.719 -3.774 8.756 1.00 0.00 H new ATOM 30 N GLY A 4 -4.880 -2.139 6.557 1.00 0.00 N ATOM 31 CA GLY A 4 -6.207 -1.564 6.674 1.00 0.00 C ATOM 32 C GLY A 4 -6.653 -0.871 5.401 1.00 0.00 C ATOM 33 O GLY A 4 -6.114 0.173 5.034 1.00 0.00 O ATOM 0 H GLY A 4 -4.152 -1.482 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.919 -2.350 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.219 -0.849 7.497 1.00 0.00 H new ATOM 37 N SER A 5 -7.638 -1.453 4.726 1.00 0.00 N ATOM 38 CA SER A 5 -8.152 -0.887 3.484 1.00 0.00 C ATOM 39 C SER A 5 -9.157 0.225 3.769 1.00 0.00 C ATOM 40 O SER A 5 -9.833 0.217 4.797 1.00 0.00 O ATOM 41 CB SER A 5 -8.808 -1.978 2.635 1.00 0.00 C ATOM 42 OG SER A 5 -8.897 -1.583 1.277 1.00 0.00 O ATOM 0 H SER A 5 -8.096 -2.316 5.018 1.00 0.00 H new ATOM 0 HA SER A 5 -7.313 -0.462 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.231 -2.899 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.805 -2.193 3.020 1.00 0.00 H new ATOM 0 HG SER A 5 -9.318 -2.298 0.755 1.00 0.00 H new ATOM 48 N SER A 6 -9.248 1.180 2.849 1.00 0.00 N ATOM 49 CA SER A 6 -10.167 2.302 3.002 1.00 0.00 C ATOM 50 C SER A 6 -11.352 2.167 2.050 1.00 0.00 C ATOM 51 O SER A 6 -12.253 3.005 2.040 1.00 0.00 O ATOM 52 CB SER A 6 -9.439 3.623 2.744 1.00 0.00 C ATOM 53 OG SER A 6 -8.563 3.940 3.811 1.00 0.00 O ATOM 0 H SER A 6 -8.697 1.199 1.991 1.00 0.00 H new ATOM 0 HA SER A 6 -10.543 2.296 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.874 3.555 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.167 4.424 2.617 1.00 0.00 H new ATOM 0 HG SER A 6 -8.109 4.787 3.621 1.00 0.00 H new ATOM 59 N GLY A 7 -11.343 1.105 1.251 1.00 0.00 N ATOM 60 CA GLY A 7 -12.421 0.878 0.306 1.00 0.00 C ATOM 61 C GLY A 7 -12.890 -0.563 0.296 1.00 0.00 C ATOM 62 O GLY A 7 -13.516 -1.026 1.250 1.00 0.00 O ATOM 0 H GLY A 7 -10.608 0.397 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.260 1.528 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.088 1.155 -0.694 1.00 0.00 H new ATOM 66 N TYR A 8 -12.588 -1.274 -0.784 1.00 0.00 N ATOM 67 CA TYR A 8 -12.987 -2.670 -0.916 1.00 0.00 C ATOM 68 C TYR A 8 -12.121 -3.389 -1.947 1.00 0.00 C ATOM 69 O TYR A 8 -11.364 -2.760 -2.688 1.00 0.00 O ATOM 70 CB TYR A 8 -14.460 -2.767 -1.315 1.00 0.00 C ATOM 71 CG TYR A 8 -14.687 -2.725 -2.809 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.501 -3.858 -3.592 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.086 -1.552 -3.439 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.707 -3.824 -4.958 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.295 -1.509 -4.804 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.104 -2.648 -5.559 1.00 0.00 C ATOM 77 OH TYR A 8 -15.310 -2.609 -6.919 1.00 0.00 O ATOM 0 H TYR A 8 -12.068 -0.907 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.847 -3.154 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.875 -3.694 -0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.008 -1.948 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.190 -4.781 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.235 -0.658 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.558 -4.714 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.606 -0.589 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.028 -3.231 -7.159 1.00 0.00 H new ATOM 87 N THR A 9 -12.239 -4.713 -1.989 1.00 0.00 N ATOM 88 CA THR A 9 -11.468 -5.518 -2.928 1.00 0.00 C ATOM 89 C THR A 9 -12.205 -6.805 -3.282 1.00 0.00 C ATOM 90 O THR A 9 -13.002 -7.313 -2.493 1.00 0.00 O ATOM 91 CB THR A 9 -10.082 -5.874 -2.357 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.438 -4.695 -1.864 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.211 -6.528 -3.419 1.00 0.00 C ATOM 0 H THR A 9 -12.861 -5.250 -1.384 1.00 0.00 H new ATOM 0 HA THR A 9 -11.338 -4.917 -3.828 1.00 0.00 H new ATOM 0 HB THR A 9 -10.221 -6.580 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.558 -4.930 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.238 -6.770 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.691 -7.441 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.080 -5.842 -4.255 1.00 0.00 H new ATOM 101 N CYS A 10 -11.933 -7.329 -4.472 1.00 0.00 N ATOM 102 CA CYS A 10 -12.570 -8.557 -4.932 1.00 0.00 C ATOM 103 C CYS A 10 -12.368 -9.684 -3.923 1.00 0.00 C ATOM 104 O CYS A 10 -11.249 -10.155 -3.718 1.00 0.00 O ATOM 105 CB CYS A 10 -12.008 -8.970 -6.293 1.00 0.00 C ATOM 106 SG CYS A 10 -12.659 -10.552 -6.919 1.00 0.00 S ATOM 0 H CYS A 10 -11.275 -6.922 -5.136 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.639 -8.367 -5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.229 -8.187 -7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.923 -9.040 -6.220 1.00 0.00 H new ATOM 111 N PHE A 11 -13.459 -10.113 -3.297 1.00 0.00 N ATOM 112 CA PHE A 11 -13.403 -11.184 -2.309 1.00 0.00 C ATOM 113 C PHE A 11 -13.213 -12.538 -2.986 1.00 0.00 C ATOM 114 O PHE A 11 -13.084 -13.565 -2.318 1.00 0.00 O ATOM 115 CB PHE A 11 -14.679 -11.197 -1.465 1.00 0.00 C ATOM 116 CG PHE A 11 -14.719 -12.307 -0.454 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.704 -12.449 0.478 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.771 -13.208 -0.436 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.737 -13.470 1.409 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.810 -14.231 0.493 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.793 -14.361 1.417 1.00 0.00 C ATOM 0 H PHE A 11 -14.393 -9.735 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.548 -10.999 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.772 -10.242 -0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.541 -11.287 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.877 -11.754 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.570 -13.110 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.939 -13.571 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.635 -14.928 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.823 -15.158 2.145 1.00 0.00 H new ATOM 131 N ARG A 12 -13.198 -12.532 -4.314 1.00 0.00 N ATOM 132 CA ARG A 12 -13.026 -13.759 -5.082 1.00 0.00 C ATOM 133 C ARG A 12 -11.553 -14.147 -5.166 1.00 0.00 C ATOM 134 O ARG A 12 -11.127 -15.143 -4.581 1.00 0.00 O ATOM 135 CB ARG A 12 -13.600 -13.590 -6.490 1.00 0.00 C ATOM 136 CG ARG A 12 -14.029 -14.898 -7.135 1.00 0.00 C ATOM 137 CD ARG A 12 -14.967 -14.660 -8.308 1.00 0.00 C ATOM 138 NE ARG A 12 -15.772 -15.839 -8.613 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.960 -15.785 -9.205 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.477 -14.615 -9.556 1.00 0.00 N ATOM 141 NH2 ARG A 12 -17.633 -16.902 -9.449 1.00 0.00 N ATOM 0 H ARG A 12 -13.303 -11.691 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.565 -14.556 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.458 -12.919 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.853 -13.111 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.149 -15.442 -7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.524 -15.525 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.625 -13.821 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.385 -14.381 -9.187 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.402 -16.755 -8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.962 -13.754 -9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.389 -14.576 -10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.238 -17.804 -9.182 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.545 -16.859 -9.904 1.00 0.00 H new ATOM 155 N CYS A 13 -10.778 -13.353 -5.898 1.00 0.00 N ATOM 156 CA CYS A 13 -9.353 -13.612 -6.060 1.00 0.00 C ATOM 157 C CYS A 13 -8.535 -12.795 -5.064 1.00 0.00 C ATOM 158 O CYS A 13 -7.446 -13.200 -4.658 1.00 0.00 O ATOM 159 CB CYS A 13 -8.912 -13.285 -7.488 1.00 0.00 C ATOM 160 SG CYS A 13 -9.031 -11.519 -7.916 1.00 0.00 S ATOM 0 H CYS A 13 -11.114 -12.524 -6.389 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.178 -14.670 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.881 -13.612 -7.622 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.522 -13.859 -8.186 1.00 0.00 H new ATOM 165 N GLY A 14 -9.068 -11.641 -4.674 1.00 0.00 N ATOM 166 CA GLY A 14 -8.375 -10.785 -3.729 1.00 0.00 C ATOM 167 C GLY A 14 -7.569 -9.699 -4.414 1.00 0.00 C ATOM 168 O GLY A 14 -6.459 -9.378 -3.990 1.00 0.00 O ATOM 0 H GLY A 14 -9.968 -11.284 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.102 -10.326 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.712 -11.392 -3.113 1.00 0.00 H new ATOM 172 N LYS A 15 -8.128 -9.131 -5.477 1.00 0.00 N ATOM 173 CA LYS A 15 -7.455 -8.074 -6.223 1.00 0.00 C ATOM 174 C LYS A 15 -8.338 -6.835 -6.328 1.00 0.00 C ATOM 175 O LYS A 15 -9.532 -6.916 -6.619 1.00 0.00 O ATOM 176 CB LYS A 15 -7.084 -8.568 -7.623 1.00 0.00 C ATOM 177 CG LYS A 15 -5.971 -9.601 -7.628 1.00 0.00 C ATOM 178 CD LYS A 15 -4.603 -8.948 -7.729 1.00 0.00 C ATOM 179 CE LYS A 15 -4.286 -8.537 -9.159 1.00 0.00 C ATOM 180 NZ LYS A 15 -4.722 -7.142 -9.446 1.00 0.00 N ATOM 0 H LYS A 15 -9.046 -9.385 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.546 -7.806 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.968 -8.997 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.780 -7.716 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.024 -10.198 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.112 -10.284 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.568 -8.072 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.841 -9.640 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.214 -8.625 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.778 -9.221 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.012 -6.672 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.636 -7.159 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.823 -6.619 -8.553 1.00 0.00 H new ATOM 194 N PRO A 16 -7.740 -5.659 -6.087 1.00 0.00 N ATOM 195 CA PRO A 16 -8.453 -4.380 -6.150 1.00 0.00 C ATOM 196 C PRO A 16 -8.841 -4.002 -7.576 1.00 0.00 C ATOM 197 O PRO A 16 -8.512 -4.710 -8.527 1.00 0.00 O ATOM 198 CB PRO A 16 -7.439 -3.380 -5.589 1.00 0.00 C ATOM 199 CG PRO A 16 -6.111 -4.002 -5.847 1.00 0.00 C ATOM 200 CD PRO A 16 -6.320 -5.487 -5.735 1.00 0.00 C ATOM 0 HA PRO A 16 -9.393 -4.410 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.525 -2.411 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.597 -3.212 -4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.740 -3.734 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.371 -3.656 -5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.668 -6.037 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.109 -5.848 -4.728 1.00 0.00 H new ATOM 208 N GLY A 17 -9.541 -2.881 -7.716 1.00 0.00 N ATOM 209 CA GLY A 17 -9.962 -2.428 -9.030 1.00 0.00 C ATOM 210 C GLY A 17 -11.313 -2.986 -9.430 1.00 0.00 C ATOM 211 O GLY A 17 -12.135 -2.281 -10.017 1.00 0.00 O ATOM 0 H GLY A 17 -9.824 -2.278 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.005 -1.339 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.217 -2.724 -9.769 1.00 0.00 H new ATOM 215 N HIS A 18 -11.545 -4.256 -9.113 1.00 0.00 N ATOM 216 CA HIS A 18 -12.807 -4.908 -9.445 1.00 0.00 C ATOM 217 C HIS A 18 -13.414 -5.574 -8.214 1.00 0.00 C ATOM 218 O HIS A 18 -12.811 -5.584 -7.140 1.00 0.00 O ATOM 219 CB HIS A 18 -12.595 -5.945 -10.548 1.00 0.00 C ATOM 220 CG HIS A 18 -11.776 -7.122 -10.115 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.403 -7.167 -10.234 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.143 -8.300 -9.559 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.961 -8.323 -9.771 1.00 0.00 C ATOM 224 NE2 HIS A 18 -10.997 -9.029 -9.355 1.00 0.00 N ATOM 0 H HIS A 18 -10.876 -4.854 -8.627 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.499 -4.145 -9.802 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.566 -6.297 -10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.107 -5.466 -11.397 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.820 -6.424 -10.619 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.150 -8.609 -9.320 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.928 -8.637 -9.738 1.00 0.00 H new ATOM 232 N TYR A 19 -14.610 -6.129 -8.377 1.00 0.00 N ATOM 233 CA TYR A 19 -15.300 -6.794 -7.278 1.00 0.00 C ATOM 234 C TYR A 19 -15.518 -8.272 -7.587 1.00 0.00 C ATOM 235 O TYR A 19 -15.341 -8.713 -8.723 1.00 0.00 O ATOM 236 CB TYR A 19 -16.644 -6.115 -7.006 1.00 0.00 C ATOM 237 CG TYR A 19 -17.255 -5.469 -8.229 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.590 -4.456 -8.909 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.497 -5.871 -8.704 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.144 -3.863 -10.027 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.058 -5.284 -9.821 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.378 -4.281 -10.479 1.00 0.00 C ATOM 243 OH TYR A 19 -18.935 -3.693 -11.592 1.00 0.00 O ATOM 0 H TYR A 19 -15.122 -6.132 -9.259 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.674 -6.715 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.341 -6.853 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.509 -5.357 -6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.623 -4.127 -8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.033 -6.656 -8.191 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.614 -3.077 -10.544 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.024 -5.609 -10.177 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.805 -4.103 -11.778 1.00 0.00 H new ATOM 253 N ILE A 20 -15.905 -9.032 -6.568 1.00 0.00 N ATOM 254 CA ILE A 20 -16.149 -10.460 -6.730 1.00 0.00 C ATOM 255 C ILE A 20 -17.191 -10.720 -7.813 1.00 0.00 C ATOM 256 O ILE A 20 -17.196 -11.777 -8.443 1.00 0.00 O ATOM 257 CB ILE A 20 -16.623 -11.103 -5.413 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.003 -12.567 -5.643 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.801 -10.328 -4.839 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.744 -13.453 -4.445 1.00 0.00 C ATOM 0 H ILE A 20 -16.056 -8.683 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.201 -10.911 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.805 -11.068 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.060 -12.623 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.443 -12.950 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.125 -10.794 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.499 -9.299 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.624 -10.335 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.037 -14.477 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.683 -13.427 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.325 -13.095 -3.595 1.00 0.00 H new ATOM 272 N LYS A 21 -18.070 -9.747 -8.026 1.00 0.00 N ATOM 273 CA LYS A 21 -19.115 -9.868 -9.036 1.00 0.00 C ATOM 274 C LYS A 21 -18.578 -9.516 -10.419 1.00 0.00 C ATOM 275 O LYS A 21 -18.998 -10.091 -11.423 1.00 0.00 O ATOM 276 CB LYS A 21 -20.296 -8.957 -8.689 1.00 0.00 C ATOM 277 CG LYS A 21 -20.477 -8.739 -7.197 1.00 0.00 C ATOM 278 CD LYS A 21 -21.773 -8.005 -6.894 1.00 0.00 C ATOM 279 CE LYS A 21 -22.934 -8.972 -6.719 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.629 -9.242 -8.008 1.00 0.00 N ATOM 0 H LYS A 21 -18.080 -8.866 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.454 -10.904 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.154 -7.991 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.210 -9.388 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.474 -9.701 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.635 -8.168 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.653 -7.411 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.996 -7.310 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.566 -9.909 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.645 -8.561 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.639 -9.015 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.212 -8.654 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.522 -10.246 -8.256 1.00 0.00 H new ATOM 294 N ASN A 22 -17.647 -8.569 -10.465 1.00 0.00 N ATOM 295 CA ASN A 22 -17.052 -8.141 -11.726 1.00 0.00 C ATOM 296 C ASN A 22 -15.655 -8.731 -11.896 1.00 0.00 C ATOM 297 O ASN A 22 -14.861 -8.251 -12.705 1.00 0.00 O ATOM 298 CB ASN A 22 -16.985 -6.614 -11.790 1.00 0.00 C ATOM 299 CG ASN A 22 -16.220 -6.120 -13.003 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.517 -6.501 -14.136 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.229 -5.268 -12.770 1.00 0.00 N ATOM 0 H ASN A 22 -17.288 -8.083 -9.643 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.682 -8.504 -12.538 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.997 -6.209 -11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.510 -6.235 -10.885 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.678 -4.902 -13.546 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.018 -4.980 -11.815 1.00 0.00 H new ATOM 308 N CYS A 23 -15.363 -9.775 -11.128 1.00 0.00 N ATOM 309 CA CYS A 23 -14.062 -10.432 -11.192 1.00 0.00 C ATOM 310 C CYS A 23 -13.858 -11.101 -12.548 1.00 0.00 C ATOM 311 O CYS A 23 -14.743 -11.774 -13.076 1.00 0.00 O ATOM 312 CB CYS A 23 -13.936 -11.469 -10.074 1.00 0.00 C ATOM 313 SG CYS A 23 -12.312 -12.292 -10.005 1.00 0.00 S ATOM 0 H CYS A 23 -16.009 -10.185 -10.454 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.291 -9.672 -11.062 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.126 -10.982 -9.118 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.710 -12.225 -10.205 1.00 0.00 H new ATOM 318 N PRO A 24 -12.662 -10.913 -13.126 1.00 0.00 N ATOM 319 CA PRO A 24 -12.312 -11.491 -14.427 1.00 0.00 C ATOM 320 C PRO A 24 -12.153 -13.006 -14.365 1.00 0.00 C ATOM 321 O PRO A 24 -12.569 -13.723 -15.276 1.00 0.00 O ATOM 322 CB PRO A 24 -10.975 -10.826 -14.762 1.00 0.00 C ATOM 323 CG PRO A 24 -10.393 -10.458 -13.441 1.00 0.00 C ATOM 324 CD PRO A 24 -11.560 -10.122 -12.554 1.00 0.00 C ATOM 0 HA PRO A 24 -13.089 -11.318 -15.172 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.320 -11.506 -15.307 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.117 -9.947 -15.391 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.813 -11.282 -13.027 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.717 -9.608 -13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.367 -10.393 -11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.782 -9.055 -12.568 1.00 0.00 H new ATOM 332 N THR A 25 -11.549 -13.489 -13.283 1.00 0.00 N ATOM 333 CA THR A 25 -11.334 -14.919 -13.102 1.00 0.00 C ATOM 334 C THR A 25 -12.646 -15.689 -13.205 1.00 0.00 C ATOM 335 O THR A 25 -12.705 -16.752 -13.821 1.00 0.00 O ATOM 336 CB THR A 25 -10.680 -15.221 -11.741 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.615 -14.978 -10.683 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.440 -14.364 -11.534 1.00 0.00 C ATOM 0 H THR A 25 -11.200 -12.910 -12.519 1.00 0.00 H new ATOM 0 HA THR A 25 -10.663 -15.241 -13.898 1.00 0.00 H new ATOM 0 HB THR A 25 -10.384 -16.270 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.114 -14.156 -10.870 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.995 -14.595 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.718 -14.572 -12.324 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.717 -13.310 -11.564 1.00 0.00 H new ATOM 346 N ASN A 26 -13.696 -15.145 -12.598 1.00 0.00 N ATOM 347 CA ASN A 26 -15.007 -15.782 -12.622 1.00 0.00 C ATOM 348 C ASN A 26 -15.504 -15.951 -14.055 1.00 0.00 C ATOM 349 O ASN A 26 -16.384 -16.766 -14.325 1.00 0.00 O ATOM 350 CB ASN A 26 -16.013 -14.957 -11.816 1.00 0.00 C ATOM 351 CG ASN A 26 -16.383 -13.659 -12.508 1.00 0.00 C ATOM 352 OD1 ASN A 26 -16.474 -13.601 -13.734 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.598 -12.610 -11.723 1.00 0.00 N ATOM 0 H ASN A 26 -13.664 -14.265 -12.084 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.912 -16.769 -12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.914 -15.548 -11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.594 -14.736 -10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.850 -11.710 -12.132 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.511 -12.704 -10.711 1.00 0.00 H new ATOM 360 N GLY A 27 -14.932 -15.173 -14.969 1.00 0.00 N ATOM 361 CA GLY A 27 -15.328 -15.253 -16.363 1.00 0.00 C ATOM 362 C GLY A 27 -14.169 -15.597 -17.277 1.00 0.00 C ATOM 363 O GLY A 27 -14.094 -15.110 -18.405 1.00 0.00 O ATOM 0 H GLY A 27 -14.202 -14.489 -14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.109 -16.006 -16.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.758 -14.300 -16.670 1.00 0.00 H new ATOM 367 N ASP A 28 -13.264 -16.438 -16.790 1.00 0.00 N ATOM 368 CA ASP A 28 -12.102 -16.847 -17.570 1.00 0.00 C ATOM 369 C ASP A 28 -12.132 -18.348 -17.843 1.00 0.00 C ATOM 370 O ASP A 28 -12.832 -19.100 -17.164 1.00 0.00 O ATOM 371 CB ASP A 28 -10.812 -16.475 -16.838 1.00 0.00 C ATOM 372 CG ASP A 28 -10.325 -15.083 -17.193 1.00 0.00 C ATOM 373 OD1 ASP A 28 -10.028 -14.844 -18.382 1.00 0.00 O ATOM 374 OD2 ASP A 28 -10.243 -14.234 -16.282 1.00 0.00 O ATOM 0 H ASP A 28 -13.313 -16.850 -15.858 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.133 -16.321 -18.524 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.978 -16.535 -15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.037 -17.201 -17.082 1.00 0.00 H new ATOM 379 N LYS A 29 -11.368 -18.778 -18.842 1.00 0.00 N ATOM 380 CA LYS A 29 -11.306 -20.188 -19.206 1.00 0.00 C ATOM 381 C LYS A 29 -10.143 -20.881 -18.501 1.00 0.00 C ATOM 382 O LYS A 29 -10.151 -22.098 -18.321 1.00 0.00 O ATOM 383 CB LYS A 29 -11.160 -20.339 -20.722 1.00 0.00 C ATOM 384 CG LYS A 29 -9.934 -19.643 -21.287 1.00 0.00 C ATOM 385 CD LYS A 29 -10.289 -18.295 -21.893 1.00 0.00 C ATOM 386 CE LYS A 29 -9.044 -17.523 -22.302 1.00 0.00 C ATOM 387 NZ LYS A 29 -8.402 -18.107 -23.513 1.00 0.00 N ATOM 0 H LYS A 29 -10.783 -18.169 -19.414 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.235 -20.661 -18.888 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.112 -21.399 -20.970 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.051 -19.938 -21.206 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.196 -19.505 -20.497 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.473 -20.275 -22.047 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.929 -18.443 -22.763 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.861 -17.710 -21.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.309 -16.484 -22.497 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.331 -17.521 -21.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.557 -17.553 -23.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.126 -19.091 -23.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.074 -18.086 -24.307 1.00 0.00 H new ATOM 401 N ASN A 30 -9.146 -20.097 -18.104 1.00 0.00 N ATOM 402 CA ASN A 30 -7.977 -20.636 -17.418 1.00 0.00 C ATOM 403 C ASN A 30 -8.296 -20.942 -15.958 1.00 0.00 C ATOM 404 O ASN A 30 -7.930 -21.997 -15.440 1.00 0.00 O ATOM 405 CB ASN A 30 -6.811 -19.648 -17.501 1.00 0.00 C ATOM 406 CG ASN A 30 -6.522 -19.213 -18.924 1.00 0.00 C ATOM 407 OD1 ASN A 30 -6.764 -18.064 -19.295 1.00 0.00 O ATOM 408 ND2 ASN A 30 -6.002 -20.132 -19.730 1.00 0.00 N ATOM 0 H ASN A 30 -9.124 -19.087 -18.245 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.693 -21.565 -17.912 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.038 -18.771 -16.895 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.918 -20.107 -17.076 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.787 -19.898 -20.699 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.818 -21.072 -19.380 1.00 0.00 H new ATOM 415 N PHE A 31 -8.982 -20.013 -15.300 1.00 0.00 N ATOM 416 CA PHE A 31 -9.350 -20.183 -13.900 1.00 0.00 C ATOM 417 C PHE A 31 -9.954 -21.563 -13.660 1.00 0.00 C ATOM 418 O PHE A 31 -9.563 -22.270 -12.732 1.00 0.00 O ATOM 419 CB PHE A 31 -10.343 -19.098 -13.477 1.00 0.00 C ATOM 420 CG PHE A 31 -10.332 -18.817 -12.001 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.154 -18.476 -11.357 1.00 0.00 C ATOM 422 CD2 PHE A 31 -11.499 -18.896 -11.259 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.140 -18.217 -9.999 1.00 0.00 C ATOM 424 CE2 PHE A 31 -11.491 -18.637 -9.901 1.00 0.00 C ATOM 425 CZ PHE A 31 -10.310 -18.298 -9.270 1.00 0.00 C ATOM 0 H PHE A 31 -9.294 -19.135 -15.714 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.445 -20.093 -13.299 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.115 -18.178 -14.015 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.347 -19.400 -13.774 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.236 -18.412 -11.922 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.425 -19.163 -11.747 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.215 -17.952 -9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.408 -18.700 -9.334 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.302 -18.097 -8.209 1.00 0.00 H new ATOM 435 N GLU A 32 -10.911 -21.938 -14.503 1.00 0.00 N ATOM 436 CA GLU A 32 -11.571 -23.233 -14.382 1.00 0.00 C ATOM 437 C GLU A 32 -10.545 -24.357 -14.265 1.00 0.00 C ATOM 438 O GLU A 32 -10.717 -25.290 -13.480 1.00 0.00 O ATOM 439 CB GLU A 32 -12.481 -23.482 -15.587 1.00 0.00 C ATOM 440 CG GLU A 32 -13.676 -22.546 -15.650 1.00 0.00 C ATOM 441 CD GLU A 32 -14.795 -23.087 -16.518 1.00 0.00 C ATOM 442 OE1 GLU A 32 -14.717 -22.930 -17.754 1.00 0.00 O ATOM 443 OE2 GLU A 32 -15.750 -23.668 -15.960 1.00 0.00 O ATOM 0 H GLU A 32 -11.246 -21.364 -15.277 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.176 -23.220 -13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.897 -23.374 -16.501 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.838 -24.512 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.053 -22.376 -14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.355 -21.579 -16.038 1.00 0.00 H new ATOM 450 N SER A 33 -9.478 -24.262 -15.052 1.00 0.00 N ATOM 451 CA SER A 33 -8.427 -25.272 -15.041 1.00 0.00 C ATOM 452 C SER A 33 -7.566 -25.145 -13.788 1.00 0.00 C ATOM 453 O SER A 33 -7.263 -26.138 -13.126 1.00 0.00 O ATOM 454 CB SER A 33 -7.552 -25.142 -16.289 1.00 0.00 C ATOM 455 OG SER A 33 -8.060 -25.930 -17.352 1.00 0.00 O ATOM 0 H SER A 33 -9.319 -23.495 -15.706 1.00 0.00 H new ATOM 0 HA SER A 33 -8.901 -26.254 -15.039 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.505 -24.097 -16.597 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.533 -25.452 -16.057 1.00 0.00 H new ATOM 0 HG SER A 33 -7.484 -25.828 -18.139 1.00 0.00 H new ATOM 461 N GLY A 34 -7.174 -23.916 -13.468 1.00 0.00 N ATOM 462 CA GLY A 34 -6.351 -23.681 -12.295 1.00 0.00 C ATOM 463 C GLY A 34 -5.005 -23.077 -12.643 1.00 0.00 C ATOM 464 O GLY A 34 -4.209 -23.663 -13.376 1.00 0.00 O ATOM 0 H GLY A 34 -7.411 -23.078 -14.000 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.879 -23.015 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.198 -24.623 -11.768 1.00 0.00 H new ATOM 468 N PRO A 35 -4.736 -21.876 -12.110 1.00 0.00 N ATOM 469 CA PRO A 35 -3.477 -21.165 -12.356 1.00 0.00 C ATOM 470 C PRO A 35 -2.289 -21.840 -11.679 1.00 0.00 C ATOM 471 O PRO A 35 -1.260 -22.084 -12.310 1.00 0.00 O ATOM 472 CB PRO A 35 -3.726 -19.783 -11.746 1.00 0.00 C ATOM 473 CG PRO A 35 -4.768 -20.010 -10.706 1.00 0.00 C ATOM 474 CD PRO A 35 -5.639 -21.119 -11.228 1.00 0.00 C ATOM 0 HA PRO A 35 -3.223 -21.139 -13.416 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.815 -19.373 -11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.067 -19.073 -12.500 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.315 -20.285 -9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.350 -19.105 -10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.026 -21.740 -10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.500 -20.731 -11.772 1.00 0.00 H new ATOM 482 N ARG A 36 -2.439 -22.140 -10.393 1.00 0.00 N ATOM 483 CA ARG A 36 -1.377 -22.787 -9.631 1.00 0.00 C ATOM 484 C ARG A 36 -1.886 -24.060 -8.962 1.00 0.00 C ATOM 485 O ARG A 36 -2.987 -24.086 -8.412 1.00 0.00 O ATOM 486 CB ARG A 36 -0.823 -21.830 -8.575 1.00 0.00 C ATOM 487 CG ARG A 36 -0.085 -22.530 -7.446 1.00 0.00 C ATOM 488 CD ARG A 36 -1.026 -22.900 -6.310 1.00 0.00 C ATOM 489 NE ARG A 36 -1.117 -21.841 -5.308 1.00 0.00 N ATOM 490 CZ ARG A 36 -2.149 -21.695 -4.485 1.00 0.00 C ATOM 491 NH1 ARG A 36 -3.172 -22.536 -4.544 1.00 0.00 N ATOM 492 NH2 ARG A 36 -2.159 -20.707 -3.600 1.00 0.00 N ATOM 0 H ARG A 36 -3.285 -21.946 -9.857 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.579 -23.055 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.147 -21.123 -9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.645 -21.250 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.397 -23.430 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.705 -21.881 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.018 -23.104 -6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.679 -23.818 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.346 -21.177 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.168 -23.297 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.963 -22.422 -3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.373 -20.058 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.952 -20.596 -2.969 1.00 0.00 H new ATOM 506 N ILE A 37 -1.078 -25.114 -9.015 1.00 0.00 N ATOM 507 CA ILE A 37 -1.446 -26.389 -8.413 1.00 0.00 C ATOM 508 C ILE A 37 -0.481 -26.770 -7.297 1.00 0.00 C ATOM 509 O ILE A 37 -0.853 -27.459 -6.346 1.00 0.00 O ATOM 510 CB ILE A 37 -1.473 -27.518 -9.461 1.00 0.00 C ATOM 511 CG1 ILE A 37 -1.973 -28.819 -8.828 1.00 0.00 C ATOM 512 CG2 ILE A 37 -0.091 -27.714 -10.065 1.00 0.00 C ATOM 513 CD1 ILE A 37 -2.388 -29.863 -9.840 1.00 0.00 C ATOM 0 H ILE A 37 -0.164 -25.110 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.446 -26.265 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.160 -27.236 -10.259 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.187 -29.231 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.821 -28.596 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.127 -28.515 -10.803 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.230 -26.790 -10.547 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.616 -27.977 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.731 -30.758 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.196 -29.470 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.537 -30.115 -10.473 1.00 0.00 H new ATOM 525 N LYS A 38 0.762 -26.316 -7.416 1.00 0.00 N ATOM 526 CA LYS A 38 1.783 -26.606 -6.416 1.00 0.00 C ATOM 527 C LYS A 38 1.333 -26.150 -5.032 1.00 0.00 C ATOM 528 O LYS A 38 1.113 -24.961 -4.799 1.00 0.00 O ATOM 529 CB LYS A 38 3.100 -25.920 -6.787 1.00 0.00 C ATOM 530 CG LYS A 38 3.943 -26.714 -7.770 1.00 0.00 C ATOM 531 CD LYS A 38 5.121 -25.900 -8.279 1.00 0.00 C ATOM 532 CE LYS A 38 4.674 -24.825 -9.258 1.00 0.00 C ATOM 533 NZ LYS A 38 5.830 -24.187 -9.947 1.00 0.00 N ATOM 0 H LYS A 38 1.087 -25.745 -8.196 1.00 0.00 H new ATOM 0 HA LYS A 38 1.937 -27.685 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.882 -24.942 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.679 -25.749 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.308 -27.621 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.325 -27.026 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.635 -25.436 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.838 -26.561 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.006 -25.264 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.103 -24.064 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.484 -23.460 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.454 -23.746 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.360 -24.909 -10.476 1.00 0.00 H new ATOM 547 N LYS A 39 1.198 -27.102 -4.115 1.00 0.00 N ATOM 548 CA LYS A 39 0.777 -26.799 -2.752 1.00 0.00 C ATOM 549 C LYS A 39 1.347 -25.461 -2.292 1.00 0.00 C ATOM 550 O LYS A 39 0.601 -24.530 -1.987 1.00 0.00 O ATOM 551 CB LYS A 39 1.223 -27.910 -1.800 1.00 0.00 C ATOM 552 CG LYS A 39 0.238 -29.063 -1.706 1.00 0.00 C ATOM 553 CD LYS A 39 0.420 -30.047 -2.849 1.00 0.00 C ATOM 554 CE LYS A 39 -0.102 -31.428 -2.484 1.00 0.00 C ATOM 555 NZ LYS A 39 0.737 -32.080 -1.441 1.00 0.00 N ATOM 0 H LYS A 39 1.374 -28.091 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.311 -26.734 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.188 -28.294 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.371 -27.488 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.371 -29.580 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.780 -28.675 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.103 -29.681 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.477 -30.113 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.128 -31.345 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.125 -32.055 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.588 -33.109 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.740 -31.870 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.470 -31.717 -0.504 1.00 0.00 H new ATOM 569 N SER A 40 2.672 -25.372 -2.245 1.00 0.00 N ATOM 570 CA SER A 40 3.342 -24.148 -1.819 1.00 0.00 C ATOM 571 C SER A 40 4.365 -23.699 -2.858 1.00 0.00 C ATOM 572 O SER A 40 5.325 -24.412 -3.150 1.00 0.00 O ATOM 573 CB SER A 40 4.029 -24.361 -0.469 1.00 0.00 C ATOM 574 OG SER A 40 4.634 -23.164 -0.011 1.00 0.00 O ATOM 0 H SER A 40 3.303 -26.133 -2.497 1.00 0.00 H new ATOM 0 HA SER A 40 2.588 -23.367 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.300 -24.707 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.784 -25.142 -0.561 1.00 0.00 H new ATOM 0 HG SER A 40 5.065 -23.326 0.854 1.00 0.00 H new ATOM 580 N THR A 41 4.151 -22.511 -3.415 1.00 0.00 N ATOM 581 CA THR A 41 5.053 -21.965 -4.422 1.00 0.00 C ATOM 582 C THR A 41 6.107 -21.066 -3.787 1.00 0.00 C ATOM 583 O THR A 41 7.303 -21.231 -4.024 1.00 0.00 O ATOM 584 CB THR A 41 4.284 -21.162 -5.488 1.00 0.00 C ATOM 585 OG1 THR A 41 3.179 -21.931 -5.977 1.00 0.00 O ATOM 586 CG2 THR A 41 5.197 -20.785 -6.644 1.00 0.00 C ATOM 0 H THR A 41 3.361 -21.908 -3.186 1.00 0.00 H new ATOM 0 HA THR A 41 5.544 -22.813 -4.900 1.00 0.00 H new ATOM 0 HB THR A 41 3.913 -20.247 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.893 -21.577 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.632 -20.219 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.021 -20.176 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.593 -21.690 -7.105 1.00 0.00 H new ATOM 594 N GLY A 42 5.655 -20.112 -2.977 1.00 0.00 N ATOM 595 CA GLY A 42 6.574 -19.201 -2.320 1.00 0.00 C ATOM 596 C GLY A 42 6.900 -17.992 -3.174 1.00 0.00 C ATOM 597 O GLY A 42 7.837 -18.022 -3.973 1.00 0.00 O ATOM 0 H GLY A 42 4.670 -19.954 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.140 -18.869 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.496 -19.731 -2.078 1.00 0.00 H new ATOM 601 N ILE A 43 6.126 -16.925 -3.007 1.00 0.00 N ATOM 602 CA ILE A 43 6.338 -15.701 -3.769 1.00 0.00 C ATOM 603 C ILE A 43 6.652 -14.527 -2.848 1.00 0.00 C ATOM 604 O ILE A 43 6.189 -14.458 -1.709 1.00 0.00 O ATOM 605 CB ILE A 43 5.108 -15.351 -4.627 1.00 0.00 C ATOM 606 CG1 ILE A 43 3.879 -15.151 -3.737 1.00 0.00 C ATOM 607 CG2 ILE A 43 4.852 -16.442 -5.655 1.00 0.00 C ATOM 608 CD1 ILE A 43 2.693 -14.561 -4.467 1.00 0.00 C ATOM 0 H ILE A 43 5.346 -16.884 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 43 7.189 -15.882 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 43 5.306 -14.419 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.591 -16.111 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.145 -14.498 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.980 -16.180 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.722 -16.541 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.671 -17.388 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.859 -14.448 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.963 -13.586 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.401 -15.224 -5.281 1.00 0.00 H new ATOM 620 N PRO A 44 7.458 -13.579 -3.350 1.00 0.00 N ATOM 621 CA PRO A 44 7.850 -12.389 -2.590 1.00 0.00 C ATOM 622 C PRO A 44 6.686 -11.426 -2.379 1.00 0.00 C ATOM 623 O PRO A 44 5.525 -11.793 -2.558 1.00 0.00 O ATOM 624 CB PRO A 44 8.924 -11.744 -3.470 1.00 0.00 C ATOM 625 CG PRO A 44 8.615 -12.212 -4.850 1.00 0.00 C ATOM 626 CD PRO A 44 8.047 -13.596 -4.700 1.00 0.00 C ATOM 0 HA PRO A 44 8.195 -12.641 -1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.889 -10.657 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.924 -12.050 -3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.901 -11.548 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.513 -12.223 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.298 -13.808 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.820 -14.359 -4.792 1.00 0.00 H new ATOM 634 N ARG A 45 7.006 -10.194 -1.998 1.00 0.00 N ATOM 635 CA ARG A 45 5.986 -9.179 -1.762 1.00 0.00 C ATOM 636 C ARG A 45 4.875 -9.271 -2.804 1.00 0.00 C ATOM 637 O ARG A 45 3.697 -9.115 -2.485 1.00 0.00 O ATOM 638 CB ARG A 45 6.610 -7.782 -1.790 1.00 0.00 C ATOM 639 CG ARG A 45 7.500 -7.536 -2.997 1.00 0.00 C ATOM 640 CD ARG A 45 7.855 -6.064 -3.138 1.00 0.00 C ATOM 641 NE ARG A 45 8.650 -5.583 -2.011 1.00 0.00 N ATOM 642 CZ ARG A 45 9.968 -5.424 -2.056 1.00 0.00 C ATOM 643 NH1 ARG A 45 10.635 -5.705 -3.166 1.00 0.00 N ATOM 644 NH2 ARG A 45 10.621 -4.981 -0.989 1.00 0.00 N ATOM 0 H ARG A 45 7.963 -9.874 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 45 5.553 -9.358 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.814 -7.038 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.195 -7.637 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.413 -8.124 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.993 -7.877 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.409 -5.912 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.940 -5.476 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 45 8.167 -5.357 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.136 -6.044 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.647 -5.582 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.111 -4.762 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.633 -4.859 -1.025 1.00 0.00 H new ATOM 658 N SER A 46 5.260 -9.527 -4.051 1.00 0.00 N ATOM 659 CA SER A 46 4.297 -9.636 -5.141 1.00 0.00 C ATOM 660 C SER A 46 4.768 -10.646 -6.182 1.00 0.00 C ATOM 661 O SER A 46 5.918 -11.086 -6.162 1.00 0.00 O ATOM 662 CB SER A 46 4.081 -8.271 -5.798 1.00 0.00 C ATOM 663 OG SER A 46 5.259 -7.828 -6.451 1.00 0.00 O ATOM 0 H SER A 46 6.231 -9.663 -4.331 1.00 0.00 H new ATOM 0 HA SER A 46 3.352 -9.984 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.265 -8.335 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.784 -7.543 -5.043 1.00 0.00 H new ATOM 0 HG SER A 46 5.095 -6.955 -6.864 1.00 0.00 H new ATOM 669 N PHE A 47 3.871 -11.009 -7.093 1.00 0.00 N ATOM 670 CA PHE A 47 4.193 -11.969 -8.143 1.00 0.00 C ATOM 671 C PHE A 47 5.327 -11.450 -9.024 1.00 0.00 C ATOM 672 O PHE A 47 5.172 -10.454 -9.730 1.00 0.00 O ATOM 673 CB PHE A 47 2.957 -12.254 -8.999 1.00 0.00 C ATOM 674 CG PHE A 47 2.005 -13.230 -8.369 1.00 0.00 C ATOM 675 CD1 PHE A 47 2.303 -14.583 -8.333 1.00 0.00 C ATOM 676 CD2 PHE A 47 0.812 -12.795 -7.814 1.00 0.00 C ATOM 677 CE1 PHE A 47 1.429 -15.484 -7.754 1.00 0.00 C ATOM 678 CE2 PHE A 47 -0.065 -13.692 -7.234 1.00 0.00 C ATOM 679 CZ PHE A 47 0.243 -15.038 -7.205 1.00 0.00 C ATOM 0 H PHE A 47 2.916 -10.653 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 47 4.519 -12.894 -7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.432 -11.318 -9.189 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.276 -12.642 -9.966 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.229 -14.937 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.565 -11.744 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.673 -16.536 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.991 -13.340 -6.804 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.442 -15.740 -6.754 1.00 0.00 H new ATOM 689 N MET A 48 6.465 -12.134 -8.976 1.00 0.00 N ATOM 690 CA MET A 48 7.624 -11.744 -9.769 1.00 0.00 C ATOM 691 C MET A 48 8.497 -12.954 -10.088 1.00 0.00 C ATOM 692 O MET A 48 8.631 -13.866 -9.273 1.00 0.00 O ATOM 693 CB MET A 48 8.446 -10.689 -9.026 1.00 0.00 C ATOM 694 CG MET A 48 9.254 -9.789 -9.947 1.00 0.00 C ATOM 695 SD MET A 48 8.216 -8.821 -11.059 1.00 0.00 S ATOM 696 CE MET A 48 9.456 -8.057 -12.101 1.00 0.00 C ATOM 0 H MET A 48 6.609 -12.961 -8.396 1.00 0.00 H new ATOM 0 HA MET A 48 7.265 -11.320 -10.707 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.775 -10.073 -8.427 1.00 0.00 H new ATOM 0 HB3 MET A 48 9.124 -11.189 -8.334 1.00 0.00 H new ATOM 0 HG2 MET A 48 9.864 -9.114 -9.346 1.00 0.00 H new ATOM 0 HG3 MET A 48 9.939 -10.399 -10.535 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.968 -7.424 -12.843 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.122 -7.450 -11.488 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.033 -8.831 -12.607 1.00 0.00 H new ATOM 706 N MET A 49 9.089 -12.954 -11.278 1.00 0.00 N ATOM 707 CA MET A 49 9.950 -14.052 -11.703 1.00 0.00 C ATOM 708 C MET A 49 11.392 -13.582 -11.861 1.00 0.00 C ATOM 709 O MET A 49 12.201 -14.242 -12.513 1.00 0.00 O ATOM 710 CB MET A 49 9.446 -14.643 -13.021 1.00 0.00 C ATOM 711 CG MET A 49 9.351 -13.625 -14.146 1.00 0.00 C ATOM 712 SD MET A 49 10.955 -13.245 -14.877 1.00 0.00 S ATOM 713 CE MET A 49 10.888 -14.230 -16.371 1.00 0.00 C ATOM 0 H MET A 49 8.988 -12.207 -11.965 1.00 0.00 H new ATOM 0 HA MET A 49 9.920 -14.823 -10.933 1.00 0.00 H new ATOM 0 HB2 MET A 49 10.113 -15.449 -13.327 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.463 -15.086 -12.859 1.00 0.00 H new ATOM 0 HG2 MET A 49 8.685 -14.006 -14.920 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.904 -12.707 -13.764 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.813 -14.101 -16.934 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.767 -15.281 -16.109 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.044 -13.909 -16.981 1.00 0.00 H new ATOM 723 N GLU A 50 11.707 -12.438 -11.262 1.00 0.00 N ATOM 724 CA GLU A 50 13.052 -11.880 -11.338 1.00 0.00 C ATOM 725 C GLU A 50 14.007 -12.634 -10.417 1.00 0.00 C ATOM 726 O GLU A 50 15.146 -12.216 -10.209 1.00 0.00 O ATOM 727 CB GLU A 50 13.034 -10.396 -10.969 1.00 0.00 C ATOM 728 CG GLU A 50 14.149 -9.593 -11.620 1.00 0.00 C ATOM 729 CD GLU A 50 15.417 -9.576 -10.789 1.00 0.00 C ATOM 730 OE1 GLU A 50 15.311 -9.598 -9.545 1.00 0.00 O ATOM 731 OE2 GLU A 50 16.515 -9.540 -11.382 1.00 0.00 O ATOM 0 H GLU A 50 11.049 -11.879 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 50 13.405 -11.987 -12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.074 -9.970 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.112 -10.299 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.368 -10.012 -12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.809 -8.570 -11.779 1.00 0.00 H new ATOM 738 N VAL A 51 13.533 -13.747 -9.866 1.00 0.00 N ATOM 739 CA VAL A 51 14.343 -14.560 -8.966 1.00 0.00 C ATOM 740 C VAL A 51 14.598 -15.943 -9.555 1.00 0.00 C ATOM 741 O VAL A 51 13.727 -16.525 -10.201 1.00 0.00 O ATOM 742 CB VAL A 51 13.669 -14.716 -7.590 1.00 0.00 C ATOM 743 CG1 VAL A 51 13.549 -13.367 -6.898 1.00 0.00 C ATOM 744 CG2 VAL A 51 12.304 -15.372 -7.737 1.00 0.00 C ATOM 0 H VAL A 51 12.592 -14.106 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 51 15.293 -14.041 -8.839 1.00 0.00 H new ATOM 0 HB VAL A 51 14.292 -15.361 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.070 -13.497 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.542 -12.940 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.948 -12.696 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.842 -15.475 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.670 -14.755 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.421 -16.358 -8.188 1.00 0.00 H new ATOM 754 N LYS A 52 15.799 -16.464 -9.328 1.00 0.00 N ATOM 755 CA LYS A 52 16.170 -17.780 -9.834 1.00 0.00 C ATOM 756 C LYS A 52 16.587 -18.704 -8.694 1.00 0.00 C ATOM 757 O LYS A 52 17.544 -18.422 -7.972 1.00 0.00 O ATOM 758 CB LYS A 52 17.310 -17.657 -10.847 1.00 0.00 C ATOM 759 CG LYS A 52 16.858 -17.180 -12.216 1.00 0.00 C ATOM 760 CD LYS A 52 16.625 -15.678 -12.235 1.00 0.00 C ATOM 761 CE LYS A 52 17.898 -14.921 -12.582 1.00 0.00 C ATOM 762 NZ LYS A 52 17.606 -13.595 -13.193 1.00 0.00 N ATOM 0 H LYS A 52 16.532 -15.995 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 52 15.298 -18.210 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.057 -16.965 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.798 -18.626 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.610 -17.442 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.939 -17.695 -12.497 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.848 -15.438 -12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.261 -15.353 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.495 -14.782 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.497 -15.515 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.499 -13.111 -13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.058 -13.729 -14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.056 -13.018 -12.525 1.00 0.00 H new ATOM 776 N ASP A 53 15.864 -19.807 -8.538 1.00 0.00 N ATOM 777 CA ASP A 53 16.161 -20.774 -7.487 1.00 0.00 C ATOM 778 C ASP A 53 16.970 -21.944 -8.037 1.00 0.00 C ATOM 779 O ASP A 53 16.440 -22.847 -8.684 1.00 0.00 O ATOM 780 CB ASP A 53 14.866 -21.286 -6.855 1.00 0.00 C ATOM 781 CG ASP A 53 14.050 -22.132 -7.812 1.00 0.00 C ATOM 782 OD1 ASP A 53 13.668 -21.616 -8.882 1.00 0.00 O ATOM 783 OD2 ASP A 53 13.793 -23.311 -7.490 1.00 0.00 O ATOM 0 H ASP A 53 15.068 -20.054 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 53 16.755 -20.272 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.105 -21.874 -5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.267 -20.438 -6.523 1.00 0.00 H new ATOM 788 N PRO A 54 18.286 -21.928 -7.776 1.00 0.00 N ATOM 789 CA PRO A 54 19.197 -22.980 -8.237 1.00 0.00 C ATOM 790 C PRO A 54 18.969 -24.303 -7.512 1.00 0.00 C ATOM 791 O PRO A 54 18.823 -25.349 -8.142 1.00 0.00 O ATOM 792 CB PRO A 54 20.582 -22.421 -7.906 1.00 0.00 C ATOM 793 CG PRO A 54 20.349 -21.474 -6.779 1.00 0.00 C ATOM 794 CD PRO A 54 18.986 -20.883 -7.011 1.00 0.00 C ATOM 0 HA PRO A 54 19.056 -23.207 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 54 21.271 -23.215 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 54 21.020 -21.913 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.393 -21.990 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.113 -20.697 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.478 -20.664 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.043 -19.948 -7.568 1.00 0.00 H new ATOM 802 N ASN A 55 18.939 -24.247 -6.185 1.00 0.00 N ATOM 803 CA ASN A 55 18.728 -25.441 -5.374 1.00 0.00 C ATOM 804 C ASN A 55 17.267 -25.563 -4.955 1.00 0.00 C ATOM 805 O ASN A 55 16.582 -26.476 -5.415 1.00 0.00 O ATOM 806 CB ASN A 55 19.625 -25.405 -4.135 1.00 0.00 C ATOM 807 CG ASN A 55 21.098 -25.486 -4.484 1.00 0.00 C ATOM 808 OD1 ASN A 55 21.727 -26.534 -4.333 1.00 0.00 O ATOM 809 ND2 ASN A 55 21.656 -24.377 -4.955 1.00 0.00 N ATOM 0 H ASN A 55 19.058 -23.388 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 55 18.987 -26.311 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 55 19.436 -24.486 -3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.364 -26.234 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 55 22.644 -24.371 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.097 -23.531 -5.064 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.061 -11.002 -8.640 1.00 0.00 ZN