USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 404 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 42 HIS HE2 : A 42 HIS NE2 : A 401 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 37:sc= 0.714 USER MOD Single : A 5 SER OG : rot 32:sc= 0.705 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00247) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -3:sc= 0.166 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 139:sc= -0.0625 (180deg=-1.87!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.249 X(o=-0.25,f=0.14) USER MOD Single : A 47 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.815 26.145 35.965 1.00 0.00 N ATOM 2 CA GLY A 1 -2.884 27.086 36.559 1.00 0.00 C ATOM 3 C GLY A 1 -1.879 27.619 35.557 1.00 0.00 C ATOM 4 O GLY A 1 -1.778 28.828 35.351 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.481 25.810 36.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.343 26.614 35.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.290 25.335 35.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.440 27.919 36.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.353 26.600 37.377 1.00 0.00 H new ATOM 8 N SER A 2 -1.132 26.714 34.932 1.00 0.00 N ATOM 9 CA SER A 2 -0.126 27.100 33.950 1.00 0.00 C ATOM 10 C SER A 2 -0.754 27.283 32.572 1.00 0.00 C ATOM 11 O SER A 2 -1.936 27.001 32.374 1.00 0.00 O ATOM 12 CB SER A 2 0.982 26.046 33.882 1.00 0.00 C ATOM 13 OG SER A 2 1.755 26.042 35.070 1.00 0.00 O ATOM 0 H SER A 2 -1.205 25.709 35.088 1.00 0.00 H new ATOM 0 HA SER A 2 0.305 28.051 34.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.542 25.061 33.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.626 26.246 33.026 1.00 0.00 H new ATOM 0 HG SER A 2 2.455 25.359 35.003 1.00 0.00 H new ATOM 19 N SER A 3 0.046 27.758 31.622 1.00 0.00 N ATOM 20 CA SER A 3 -0.432 27.983 30.263 1.00 0.00 C ATOM 21 C SER A 3 0.737 28.094 29.288 1.00 0.00 C ATOM 22 O SER A 3 1.776 28.668 29.610 1.00 0.00 O ATOM 23 CB SER A 3 -1.283 29.253 30.202 1.00 0.00 C ATOM 24 OG SER A 3 -2.647 28.964 30.454 1.00 0.00 O ATOM 0 H SER A 3 1.027 27.994 31.769 1.00 0.00 H new ATOM 0 HA SER A 3 -1.045 27.129 29.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.919 29.974 30.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.181 29.716 29.221 1.00 0.00 H new ATOM 0 HG SER A 3 -2.712 28.260 31.133 1.00 0.00 H new ATOM 30 N GLY A 4 0.558 27.539 28.093 1.00 0.00 N ATOM 31 CA GLY A 4 1.604 27.585 27.089 1.00 0.00 C ATOM 32 C GLY A 4 2.501 26.364 27.129 1.00 0.00 C ATOM 33 O GLY A 4 3.680 26.462 27.470 1.00 0.00 O ATOM 0 H GLY A 4 -0.293 27.058 27.803 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.151 27.667 26.101 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.208 28.480 27.238 1.00 0.00 H new ATOM 37 N SER A 5 1.942 25.209 26.782 1.00 0.00 N ATOM 38 CA SER A 5 2.697 23.962 26.785 1.00 0.00 C ATOM 39 C SER A 5 1.861 22.819 26.218 1.00 0.00 C ATOM 40 O SER A 5 0.877 22.395 26.823 1.00 0.00 O ATOM 41 CB SER A 5 3.152 23.620 28.205 1.00 0.00 C ATOM 42 OG SER A 5 2.043 23.462 29.072 1.00 0.00 O ATOM 0 H SER A 5 0.968 25.111 26.495 1.00 0.00 H new ATOM 0 HA SER A 5 3.574 24.096 26.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.740 22.702 28.191 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.802 24.409 28.582 1.00 0.00 H new ATOM 0 HG SER A 5 1.285 23.097 28.570 1.00 0.00 H new ATOM 48 N SER A 6 2.261 22.324 25.051 1.00 0.00 N ATOM 49 CA SER A 6 1.548 21.233 24.398 1.00 0.00 C ATOM 50 C SER A 6 2.489 20.419 23.515 1.00 0.00 C ATOM 51 O SER A 6 3.463 20.945 22.977 1.00 0.00 O ATOM 52 CB SER A 6 0.390 21.780 23.561 1.00 0.00 C ATOM 53 OG SER A 6 -0.194 20.760 22.769 1.00 0.00 O ATOM 0 H SER A 6 3.076 22.662 24.538 1.00 0.00 H new ATOM 0 HA SER A 6 1.149 20.579 25.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.365 22.212 24.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.750 22.583 22.918 1.00 0.00 H new ATOM 0 HG SER A 6 -0.932 21.135 22.245 1.00 0.00 H new ATOM 59 N GLY A 7 2.190 19.132 23.370 1.00 0.00 N ATOM 60 CA GLY A 7 3.019 18.265 22.552 1.00 0.00 C ATOM 61 C GLY A 7 2.751 18.438 21.070 1.00 0.00 C ATOM 62 O GLY A 7 1.867 19.200 20.676 1.00 0.00 O ATOM 0 H GLY A 7 1.389 18.674 23.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.069 18.474 22.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.841 17.227 22.832 1.00 0.00 H new ATOM 66 N LEU A 8 3.515 17.729 20.247 1.00 0.00 N ATOM 67 CA LEU A 8 3.357 17.808 18.798 1.00 0.00 C ATOM 68 C LEU A 8 2.749 16.523 18.246 1.00 0.00 C ATOM 69 O LEU A 8 2.657 15.516 18.947 1.00 0.00 O ATOM 70 CB LEU A 8 4.708 18.074 18.132 1.00 0.00 C ATOM 71 CG LEU A 8 5.236 19.506 18.232 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.288 20.474 17.541 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.435 19.900 19.688 1.00 0.00 C ATOM 0 H LEU A 8 4.250 17.093 20.557 1.00 0.00 H new ATOM 0 HA LEU A 8 2.680 18.633 18.575 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.446 17.404 18.573 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.629 17.810 17.077 1.00 0.00 H new ATOM 0 HG LEU A 8 6.201 19.553 17.728 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.680 21.488 17.622 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.196 20.204 16.489 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.308 20.425 18.016 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.811 20.922 19.740 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.483 19.836 20.216 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.153 19.225 20.153 1.00 0.00 H new ATOM 85 N LYS A 9 2.337 16.565 16.984 1.00 0.00 N ATOM 86 CA LYS A 9 1.741 15.404 16.334 1.00 0.00 C ATOM 87 C LYS A 9 2.699 14.799 15.314 1.00 0.00 C ATOM 88 O LYS A 9 3.362 15.520 14.567 1.00 0.00 O ATOM 89 CB LYS A 9 0.429 15.795 15.648 1.00 0.00 C ATOM 90 CG LYS A 9 -0.435 14.606 15.267 1.00 0.00 C ATOM 91 CD LYS A 9 -1.887 15.011 15.075 1.00 0.00 C ATOM 92 CE LYS A 9 -2.077 15.816 13.799 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.072 14.948 12.589 1.00 0.00 N ATOM 0 H LYS A 9 2.405 17.392 16.390 1.00 0.00 H new ATOM 0 HA LYS A 9 1.535 14.657 17.100 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.138 16.448 16.312 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.655 16.371 14.751 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.056 14.159 14.348 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.369 13.843 16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.513 14.119 15.041 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.218 15.600 15.931 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.019 16.361 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.283 16.558 13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.238 15.530 11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.151 14.473 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.824 14.234 12.671 1.00 0.00 H new ATOM 107 N CYS A 10 2.767 13.473 15.286 1.00 0.00 N ATOM 108 CA CYS A 10 3.644 12.771 14.356 1.00 0.00 C ATOM 109 C CYS A 10 3.014 11.460 13.897 1.00 0.00 C ATOM 110 O CYS A 10 2.558 10.660 14.714 1.00 0.00 O ATOM 111 CB CYS A 10 5.000 12.497 15.009 1.00 0.00 C ATOM 112 SG CYS A 10 6.249 11.849 13.874 1.00 0.00 S ATOM 0 H CYS A 10 2.225 12.862 15.897 1.00 0.00 H new ATOM 0 HA CYS A 10 3.790 13.408 13.484 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.371 13.421 15.451 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.862 11.787 15.824 1.00 0.00 H new ATOM 0 HG CYS A 10 7.361 11.652 14.519 1.00 0.00 H new ATOM 118 N SER A 11 2.989 11.249 12.585 1.00 0.00 N ATOM 119 CA SER A 11 2.409 10.037 12.017 1.00 0.00 C ATOM 120 C SER A 11 2.979 9.762 10.628 1.00 0.00 C ATOM 121 O SER A 11 2.897 10.603 9.732 1.00 0.00 O ATOM 122 CB SER A 11 0.887 10.163 11.940 1.00 0.00 C ATOM 123 OG SER A 11 0.282 8.902 11.713 1.00 0.00 O ATOM 0 H SER A 11 3.363 11.901 11.896 1.00 0.00 H new ATOM 0 HA SER A 11 2.665 9.201 12.668 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.507 10.591 12.868 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.616 10.850 11.138 1.00 0.00 H new ATOM 0 HG SER A 11 -0.691 9.009 11.670 1.00 0.00 H new ATOM 129 N THR A 12 3.558 8.578 10.457 1.00 0.00 N ATOM 130 CA THR A 12 4.143 8.190 9.179 1.00 0.00 C ATOM 131 C THR A 12 4.171 6.674 9.025 1.00 0.00 C ATOM 132 O THR A 12 4.531 5.952 9.955 1.00 0.00 O ATOM 133 CB THR A 12 5.575 8.737 9.028 1.00 0.00 C ATOM 134 OG1 THR A 12 5.562 10.167 9.096 1.00 0.00 O ATOM 135 CG2 THR A 12 6.188 8.292 7.709 1.00 0.00 C ATOM 0 H THR A 12 3.635 7.871 11.188 1.00 0.00 H new ATOM 0 HA THR A 12 3.514 8.620 8.400 1.00 0.00 H new ATOM 0 HB THR A 12 6.180 8.340 9.843 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.637 10.482 9.174 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.199 8.690 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.223 7.203 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.582 8.663 6.883 1.00 0.00 H new ATOM 143 N VAL A 13 3.789 6.197 7.844 1.00 0.00 N ATOM 144 CA VAL A 13 3.773 4.765 7.568 1.00 0.00 C ATOM 145 C VAL A 13 4.699 4.420 6.407 1.00 0.00 C ATOM 146 O VAL A 13 4.889 5.220 5.491 1.00 0.00 O ATOM 147 CB VAL A 13 2.351 4.273 7.240 1.00 0.00 C ATOM 148 CG1 VAL A 13 1.883 4.841 5.909 1.00 0.00 C ATOM 149 CG2 VAL A 13 2.303 2.753 7.226 1.00 0.00 C ATOM 0 H VAL A 13 3.487 6.781 7.064 1.00 0.00 H new ATOM 0 HA VAL A 13 4.123 4.264 8.470 1.00 0.00 H new ATOM 0 HB VAL A 13 1.675 4.628 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.876 4.482 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.877 5.930 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.560 4.518 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.291 2.423 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.991 2.374 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.592 2.371 8.205 1.00 0.00 H new ATOM 159 N VAL A 14 5.272 3.221 6.451 1.00 0.00 N ATOM 160 CA VAL A 14 6.177 2.767 5.402 1.00 0.00 C ATOM 161 C VAL A 14 5.651 1.504 4.731 1.00 0.00 C ATOM 162 O VAL A 14 4.828 0.784 5.296 1.00 0.00 O ATOM 163 CB VAL A 14 7.587 2.492 5.958 1.00 0.00 C ATOM 164 CG1 VAL A 14 8.198 3.766 6.520 1.00 0.00 C ATOM 165 CG2 VAL A 14 7.538 1.401 7.017 1.00 0.00 C ATOM 0 H VAL A 14 5.125 2.547 7.202 1.00 0.00 H new ATOM 0 HA VAL A 14 6.235 3.568 4.665 1.00 0.00 H new ATOM 0 HB VAL A 14 8.220 2.145 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.194 3.552 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.270 4.514 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.569 4.147 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.543 1.219 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.890 1.717 7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.146 0.484 6.577 1.00 0.00 H new ATOM 175 N CYS A 15 6.132 1.239 3.520 1.00 0.00 N ATOM 176 CA CYS A 15 5.711 0.062 2.770 1.00 0.00 C ATOM 177 C CYS A 15 5.567 -1.147 3.691 1.00 0.00 C ATOM 178 O CYS A 15 6.510 -1.529 4.384 1.00 0.00 O ATOM 179 CB CYS A 15 6.717 -0.246 1.659 1.00 0.00 C ATOM 180 SG CYS A 15 6.116 -1.444 0.424 1.00 0.00 S ATOM 0 H CYS A 15 6.814 1.824 3.038 1.00 0.00 H new ATOM 0 HA CYS A 15 4.740 0.274 2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.978 0.683 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.632 -0.632 2.108 1.00 0.00 H new ATOM 185 N VAL A 16 4.380 -1.745 3.691 1.00 0.00 N ATOM 186 CA VAL A 16 4.112 -2.911 4.525 1.00 0.00 C ATOM 187 C VAL A 16 4.776 -4.159 3.954 1.00 0.00 C ATOM 188 O VAL A 16 4.496 -5.277 4.387 1.00 0.00 O ATOM 189 CB VAL A 16 2.599 -3.166 4.663 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.909 -1.960 5.284 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.990 -3.502 3.311 1.00 0.00 C ATOM 0 H VAL A 16 3.589 -1.442 3.123 1.00 0.00 H new ATOM 0 HA VAL A 16 4.529 -2.699 5.510 1.00 0.00 H new ATOM 0 HB VAL A 16 2.450 -4.020 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.841 -2.158 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.327 -1.771 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.064 -1.086 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.921 -3.679 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.147 -2.670 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.465 -4.398 2.911 1.00 0.00 H new ATOM 201 N ILE A 17 5.658 -3.960 2.980 1.00 0.00 N ATOM 202 CA ILE A 17 6.364 -5.069 2.351 1.00 0.00 C ATOM 203 C ILE A 17 7.871 -4.948 2.554 1.00 0.00 C ATOM 204 O ILE A 17 8.509 -5.848 3.101 1.00 0.00 O ATOM 205 CB ILE A 17 6.065 -5.143 0.842 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.556 -5.090 0.596 1.00 0.00 C ATOM 207 CG2 ILE A 17 6.660 -6.411 0.246 1.00 0.00 C ATOM 208 CD1 ILE A 17 3.780 -6.136 1.365 1.00 0.00 C ATOM 0 H ILE A 17 5.900 -3.041 2.610 1.00 0.00 H new ATOM 0 HA ILE A 17 6.008 -5.981 2.829 1.00 0.00 H new ATOM 0 HB ILE A 17 6.524 -4.284 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.186 -4.102 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.365 -5.218 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.440 -6.449 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.740 -6.411 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.226 -7.282 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.718 -6.038 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.122 -7.129 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.940 -5.995 2.434 1.00 0.00 H new ATOM 220 N CYS A 18 8.434 -3.829 2.112 1.00 0.00 N ATOM 221 CA CYS A 18 9.865 -3.588 2.245 1.00 0.00 C ATOM 222 C CYS A 18 10.141 -2.519 3.299 1.00 0.00 C ATOM 223 O CYS A 18 11.275 -2.353 3.749 1.00 0.00 O ATOM 224 CB CYS A 18 10.459 -3.160 0.902 1.00 0.00 C ATOM 225 SG CYS A 18 9.964 -1.490 0.368 1.00 0.00 S ATOM 0 H CYS A 18 7.920 -3.074 1.658 1.00 0.00 H new ATOM 0 HA CYS A 18 10.336 -4.518 2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.546 -3.201 0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.159 -3.878 0.139 1.00 0.00 H new ATOM 230 N LEU A 19 9.096 -1.798 3.689 1.00 0.00 N ATOM 231 CA LEU A 19 9.224 -0.745 4.691 1.00 0.00 C ATOM 232 C LEU A 19 10.090 0.398 4.171 1.00 0.00 C ATOM 233 O LEU A 19 11.077 0.777 4.801 1.00 0.00 O ATOM 234 CB LEU A 19 9.824 -1.310 5.979 1.00 0.00 C ATOM 235 CG LEU A 19 9.084 -2.495 6.600 1.00 0.00 C ATOM 236 CD1 LEU A 19 9.984 -3.231 7.581 1.00 0.00 C ATOM 237 CD2 LEU A 19 7.810 -2.028 7.288 1.00 0.00 C ATOM 0 H LEU A 19 8.151 -1.923 3.327 1.00 0.00 H new ATOM 0 HA LEU A 19 8.228 -0.355 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.850 -1.615 5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.870 -0.509 6.717 1.00 0.00 H new ATOM 0 HG LEU A 19 8.809 -3.185 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.441 -4.071 8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.867 -3.600 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.290 -2.550 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.297 -2.885 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.061 -1.317 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.158 -1.547 6.559 1.00 0.00 H new ATOM 249 N GLU A 20 9.713 0.944 3.019 1.00 0.00 N ATOM 250 CA GLU A 20 10.456 2.045 2.417 1.00 0.00 C ATOM 251 C GLU A 20 9.510 3.150 1.954 1.00 0.00 C ATOM 252 O GLU A 20 8.319 2.918 1.748 1.00 0.00 O ATOM 253 CB GLU A 20 11.287 1.542 1.235 1.00 0.00 C ATOM 254 CG GLU A 20 12.377 0.560 1.632 1.00 0.00 C ATOM 255 CD GLU A 20 13.560 0.587 0.684 1.00 0.00 C ATOM 256 OE1 GLU A 20 13.518 -0.129 -0.338 1.00 0.00 O ATOM 257 OE2 GLU A 20 14.528 1.325 0.964 1.00 0.00 O ATOM 0 H GLU A 20 8.898 0.642 2.484 1.00 0.00 H new ATOM 0 HA GLU A 20 11.125 2.456 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.625 1.064 0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.743 2.395 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.719 0.791 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.961 -0.447 1.659 1.00 0.00 H new ATOM 264 N LYS A 21 10.050 4.354 1.794 1.00 0.00 N ATOM 265 CA LYS A 21 9.258 5.496 1.355 1.00 0.00 C ATOM 266 C LYS A 21 8.282 5.091 0.255 1.00 0.00 C ATOM 267 O LYS A 21 8.648 4.953 -0.913 1.00 0.00 O ATOM 268 CB LYS A 21 10.173 6.615 0.853 1.00 0.00 C ATOM 269 CG LYS A 21 10.654 7.547 1.951 1.00 0.00 C ATOM 270 CD LYS A 21 11.628 8.583 1.417 1.00 0.00 C ATOM 271 CE LYS A 21 12.535 9.114 2.517 1.00 0.00 C ATOM 272 NZ LYS A 21 11.942 10.294 3.204 1.00 0.00 N ATOM 0 H LYS A 21 11.034 4.564 1.962 1.00 0.00 H new ATOM 0 HA LYS A 21 8.686 5.859 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.038 6.172 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.641 7.198 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.799 8.049 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.135 6.966 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.234 8.141 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.074 9.409 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.722 8.325 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.500 9.389 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.591 10.626 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.787 11.056 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.033 10.026 3.633 1.00 0.00 H new ATOM 286 N PRO A 22 7.010 4.897 0.633 1.00 0.00 N ATOM 287 CA PRO A 22 5.955 4.507 -0.308 1.00 0.00 C ATOM 288 C PRO A 22 5.599 5.629 -1.277 1.00 0.00 C ATOM 289 O PRO A 22 5.178 6.710 -0.864 1.00 0.00 O ATOM 290 CB PRO A 22 4.767 4.190 0.604 1.00 0.00 C ATOM 291 CG PRO A 22 5.010 4.992 1.836 1.00 0.00 C ATOM 292 CD PRO A 22 6.503 5.044 2.008 1.00 0.00 C ATOM 0 HA PRO A 22 6.260 3.673 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.823 4.464 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.714 3.125 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.593 5.994 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.533 4.532 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.823 5.985 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.861 4.244 2.656 1.00 0.00 H new ATOM 300 N LYS A 23 5.769 5.365 -2.568 1.00 0.00 N ATOM 301 CA LYS A 23 5.465 6.352 -3.598 1.00 0.00 C ATOM 302 C LYS A 23 3.966 6.403 -3.875 1.00 0.00 C ATOM 303 O LYS A 23 3.397 7.477 -4.073 1.00 0.00 O ATOM 304 CB LYS A 23 6.222 6.025 -4.886 1.00 0.00 C ATOM 305 CG LYS A 23 7.644 6.558 -4.908 1.00 0.00 C ATOM 306 CD LYS A 23 8.466 5.910 -6.009 1.00 0.00 C ATOM 307 CE LYS A 23 9.930 6.315 -5.924 1.00 0.00 C ATOM 308 NZ LYS A 23 10.689 5.454 -4.975 1.00 0.00 N ATOM 0 H LYS A 23 6.116 4.475 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 23 5.784 7.329 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.246 4.943 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.675 6.438 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.626 7.638 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.117 6.374 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.383 4.826 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.064 6.196 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.383 6.251 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.001 7.355 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.682 5.762 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.273 5.534 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.643 4.464 -5.291 1.00 0.00 H new ATOM 322 N TYR A 24 3.331 5.236 -3.887 1.00 0.00 N ATOM 323 CA TYR A 24 1.898 5.148 -4.142 1.00 0.00 C ATOM 324 C TYR A 24 1.221 4.228 -3.131 1.00 0.00 C ATOM 325 O TYR A 24 1.884 3.599 -2.305 1.00 0.00 O ATOM 326 CB TYR A 24 1.641 4.640 -5.562 1.00 0.00 C ATOM 327 CG TYR A 24 2.688 5.080 -6.560 1.00 0.00 C ATOM 328 CD1 TYR A 24 3.892 4.397 -6.679 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.474 6.178 -7.384 1.00 0.00 C ATOM 330 CE1 TYR A 24 4.852 4.794 -7.590 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.427 6.582 -8.298 1.00 0.00 C ATOM 332 CZ TYR A 24 4.615 5.887 -8.397 1.00 0.00 C ATOM 333 OH TYR A 24 5.568 6.287 -9.305 1.00 0.00 O ATOM 0 H TYR A 24 3.786 4.338 -3.723 1.00 0.00 H new ATOM 0 HA TYR A 24 1.474 6.147 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.600 3.551 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.664 4.992 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.081 3.541 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.546 6.725 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.783 4.252 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.244 7.437 -8.932 1.00 0.00 H new ATOM 0 HH TYR A 24 5.244 7.071 -9.795 1.00 0.00 H new ATOM 343 N ARG A 25 -0.104 4.154 -3.202 1.00 0.00 N ATOM 344 CA ARG A 25 -0.873 3.312 -2.294 1.00 0.00 C ATOM 345 C ARG A 25 -1.872 2.452 -3.063 1.00 0.00 C ATOM 346 O ARG A 25 -2.173 2.722 -4.226 1.00 0.00 O ATOM 347 CB ARG A 25 -1.610 4.173 -1.266 1.00 0.00 C ATOM 348 CG ARG A 25 -0.779 4.499 -0.036 1.00 0.00 C ATOM 349 CD ARG A 25 -1.548 5.375 0.940 1.00 0.00 C ATOM 350 NE ARG A 25 -0.893 5.448 2.243 1.00 0.00 N ATOM 351 CZ ARG A 25 -1.499 5.869 3.348 1.00 0.00 C ATOM 352 NH1 ARG A 25 -2.767 6.253 3.307 1.00 0.00 N ATOM 353 NH2 ARG A 25 -0.836 5.907 4.497 1.00 0.00 N ATOM 0 H ARG A 25 -0.668 4.668 -3.880 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.178 2.653 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.921 5.104 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.517 3.655 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.482 3.575 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.137 5.007 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.646 6.379 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.557 4.981 1.063 1.00 0.00 H new ATOM 0 HE ARG A 25 0.083 5.160 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.280 6.226 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.230 6.576 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.140 5.613 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.302 6.230 5.344 1.00 0.00 H new ATOM 367 N CYS A 26 -2.382 1.416 -2.406 1.00 0.00 N ATOM 368 CA CYS A 26 -3.346 0.516 -3.027 1.00 0.00 C ATOM 369 C CYS A 26 -4.712 1.184 -3.154 1.00 0.00 C ATOM 370 O CYS A 26 -5.269 1.702 -2.186 1.00 0.00 O ATOM 371 CB CYS A 26 -3.470 -0.773 -2.212 1.00 0.00 C ATOM 372 SG CYS A 26 -4.573 -2.019 -2.954 1.00 0.00 S ATOM 0 H CYS A 26 -2.144 1.179 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.986 0.273 -4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.479 -1.209 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.836 -0.526 -1.216 1.00 0.00 H new ATOM 377 N PRO A 27 -5.265 1.174 -4.376 1.00 0.00 N ATOM 378 CA PRO A 27 -6.572 1.774 -4.658 1.00 0.00 C ATOM 379 C PRO A 27 -7.718 0.992 -4.025 1.00 0.00 C ATOM 380 O PRO A 27 -8.886 1.222 -4.337 1.00 0.00 O ATOM 381 CB PRO A 27 -6.666 1.718 -6.185 1.00 0.00 C ATOM 382 CG PRO A 27 -5.778 0.588 -6.578 1.00 0.00 C ATOM 383 CD PRO A 27 -4.657 0.574 -5.575 1.00 0.00 C ATOM 0 HA PRO A 27 -6.655 2.781 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.692 1.548 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.338 2.654 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.322 -0.357 -6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.395 0.726 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.303 -0.439 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.800 1.151 -5.922 1.00 0.00 H new ATOM 391 N ALA A 28 -7.376 0.066 -3.135 1.00 0.00 N ATOM 392 CA ALA A 28 -8.377 -0.748 -2.456 1.00 0.00 C ATOM 393 C ALA A 28 -8.367 -0.490 -0.953 1.00 0.00 C ATOM 394 O ALA A 28 -9.297 0.107 -0.410 1.00 0.00 O ATOM 395 CB ALA A 28 -8.139 -2.223 -2.742 1.00 0.00 C ATOM 0 H ALA A 28 -6.413 -0.139 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.358 -0.468 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.893 -2.819 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.204 -2.401 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.148 -2.507 -2.387 1.00 0.00 H new ATOM 401 N CYS A 29 -7.311 -0.944 -0.286 1.00 0.00 N ATOM 402 CA CYS A 29 -7.181 -0.764 1.154 1.00 0.00 C ATOM 403 C CYS A 29 -6.374 0.491 1.475 1.00 0.00 C ATOM 404 O CYS A 29 -6.351 0.952 2.616 1.00 0.00 O ATOM 405 CB CYS A 29 -6.513 -1.988 1.784 1.00 0.00 C ATOM 406 SG CYS A 29 -4.989 -2.520 0.940 1.00 0.00 S ATOM 0 H CYS A 29 -6.533 -1.440 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.181 -0.649 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.280 -1.766 2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.223 -2.815 1.785 1.00 0.00 H new ATOM 411 N ARG A 30 -5.714 1.038 0.459 1.00 0.00 N ATOM 412 CA ARG A 30 -4.905 2.239 0.633 1.00 0.00 C ATOM 413 C ARG A 30 -3.657 1.939 1.457 1.00 0.00 C ATOM 414 O ARG A 30 -3.357 2.637 2.426 1.00 0.00 O ATOM 415 CB ARG A 30 -5.725 3.339 1.310 1.00 0.00 C ATOM 416 CG ARG A 30 -7.060 3.606 0.635 1.00 0.00 C ATOM 417 CD ARG A 30 -6.887 4.411 -0.643 1.00 0.00 C ATOM 418 NE ARG A 30 -6.700 5.834 -0.373 1.00 0.00 N ATOM 419 CZ ARG A 30 -6.810 6.779 -1.300 1.00 0.00 C ATOM 420 NH1 ARG A 30 -7.105 6.454 -2.551 1.00 0.00 N ATOM 421 NH2 ARG A 30 -6.624 8.052 -0.976 1.00 0.00 N ATOM 0 H ARG A 30 -5.723 0.669 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.594 2.583 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.902 3.061 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.142 4.260 1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.549 2.659 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.714 4.145 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.028 4.031 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.762 4.275 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.472 6.118 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.248 5.476 -2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.189 7.182 -3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.396 8.306 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.709 8.777 -1.688 1.00 0.00 H new ATOM 435 N VAL A 31 -2.932 0.896 1.067 1.00 0.00 N ATOM 436 CA VAL A 31 -1.716 0.504 1.769 1.00 0.00 C ATOM 437 C VAL A 31 -0.480 1.098 1.102 1.00 0.00 C ATOM 438 O VAL A 31 -0.429 1.284 -0.114 1.00 0.00 O ATOM 439 CB VAL A 31 -1.569 -1.029 1.824 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.669 -1.640 2.678 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.583 -1.616 0.421 1.00 0.00 C ATOM 0 H VAL A 31 -3.166 0.307 0.268 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.799 0.891 2.785 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.610 -1.269 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.549 -2.723 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.607 -1.242 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.641 -1.393 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.478 -2.699 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.525 -1.368 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.756 -1.202 -0.155 1.00 0.00 H new ATOM 451 N PRO A 32 0.542 1.403 1.915 1.00 0.00 N ATOM 452 CA PRO A 32 1.798 1.979 1.426 1.00 0.00 C ATOM 453 C PRO A 32 2.615 0.983 0.611 1.00 0.00 C ATOM 454 O PRO A 32 2.968 -0.091 1.099 1.00 0.00 O ATOM 455 CB PRO A 32 2.540 2.356 2.711 1.00 0.00 C ATOM 456 CG PRO A 32 1.989 1.439 3.748 1.00 0.00 C ATOM 457 CD PRO A 32 0.551 1.207 3.374 1.00 0.00 C ATOM 0 HA PRO A 32 1.626 2.820 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.616 2.226 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.370 3.400 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.542 0.500 3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.067 1.881 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.222 0.204 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.114 1.909 3.878 1.00 0.00 H new ATOM 465 N TYR A 33 2.913 1.345 -0.631 1.00 0.00 N ATOM 466 CA TYR A 33 3.688 0.481 -1.514 1.00 0.00 C ATOM 467 C TYR A 33 4.577 1.305 -2.440 1.00 0.00 C ATOM 468 O TYR A 33 4.109 2.219 -3.120 1.00 0.00 O ATOM 469 CB TYR A 33 2.755 -0.406 -2.341 1.00 0.00 C ATOM 470 CG TYR A 33 2.401 0.179 -3.689 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.356 0.298 -4.691 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.109 0.612 -3.962 1.00 0.00 C ATOM 473 CE1 TYR A 33 3.037 0.833 -5.923 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.780 1.147 -5.193 1.00 0.00 C ATOM 475 CZ TYR A 33 1.747 1.256 -6.170 1.00 0.00 C ATOM 476 OH TYR A 33 1.424 1.788 -7.397 1.00 0.00 O ATOM 0 H TYR A 33 2.630 2.231 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 33 4.326 -0.150 -0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.227 -1.377 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.838 -0.579 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.366 -0.034 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.349 0.529 -3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.793 0.920 -6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.229 1.478 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 33 0.476 2.035 -7.407 1.00 0.00 H new ATOM 486 N CYS A 34 5.864 0.975 -2.462 1.00 0.00 N ATOM 487 CA CYS A 34 6.821 1.682 -3.304 1.00 0.00 C ATOM 488 C CYS A 34 6.531 1.438 -4.782 1.00 0.00 C ATOM 489 O CYS A 34 6.085 2.337 -5.494 1.00 0.00 O ATOM 490 CB CYS A 34 8.248 1.240 -2.973 1.00 0.00 C ATOM 491 SG CYS A 34 8.424 -0.552 -2.691 1.00 0.00 S ATOM 0 H CYS A 34 6.268 0.222 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 34 6.723 2.749 -3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.907 1.535 -3.789 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.585 1.772 -2.083 1.00 0.00 H new ATOM 496 N SER A 35 6.788 0.215 -5.235 1.00 0.00 N ATOM 497 CA SER A 35 6.558 -0.147 -6.629 1.00 0.00 C ATOM 498 C SER A 35 5.511 -1.252 -6.737 1.00 0.00 C ATOM 499 O SER A 35 4.999 -1.739 -5.729 1.00 0.00 O ATOM 500 CB SER A 35 7.865 -0.601 -7.282 1.00 0.00 C ATOM 501 OG SER A 35 8.601 0.505 -7.772 1.00 0.00 O ATOM 0 H SER A 35 7.155 -0.541 -4.658 1.00 0.00 H new ATOM 0 HA SER A 35 6.186 0.734 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.466 -1.149 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.647 -1.288 -8.100 1.00 0.00 H new ATOM 0 HG SER A 35 9.432 0.188 -8.183 1.00 0.00 H new ATOM 507 N VAL A 36 5.198 -1.644 -7.968 1.00 0.00 N ATOM 508 CA VAL A 36 4.214 -2.692 -8.210 1.00 0.00 C ATOM 509 C VAL A 36 4.628 -3.999 -7.544 1.00 0.00 C ATOM 510 O VAL A 36 3.802 -4.695 -6.953 1.00 0.00 O ATOM 511 CB VAL A 36 4.015 -2.937 -9.718 1.00 0.00 C ATOM 512 CG1 VAL A 36 5.177 -3.737 -10.287 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.693 -3.647 -9.972 1.00 0.00 C ATOM 0 H VAL A 36 5.612 -1.251 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 36 3.274 -2.350 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 36 3.987 -1.972 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.019 -3.900 -11.353 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.106 -3.186 -10.138 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.240 -4.699 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.568 -3.812 -11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.690 -4.606 -9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.873 -3.032 -9.602 1.00 0.00 H new ATOM 523 N VAL A 37 5.912 -4.326 -7.643 1.00 0.00 N ATOM 524 CA VAL A 37 6.437 -5.550 -7.048 1.00 0.00 C ATOM 525 C VAL A 37 5.847 -5.784 -5.662 1.00 0.00 C ATOM 526 O VAL A 37 5.158 -6.777 -5.428 1.00 0.00 O ATOM 527 CB VAL A 37 7.973 -5.508 -6.940 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.495 -6.764 -6.261 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.598 -5.336 -8.316 1.00 0.00 C ATOM 0 H VAL A 37 6.608 -3.761 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 37 6.149 -6.370 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 37 8.254 -4.651 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.582 -6.716 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.072 -6.838 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.206 -7.639 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.684 -5.308 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.310 -6.172 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.249 -4.404 -8.760 1.00 0.00 H new ATOM 539 N CYS A 38 6.123 -4.862 -4.745 1.00 0.00 N ATOM 540 CA CYS A 38 5.620 -4.967 -3.380 1.00 0.00 C ATOM 541 C CYS A 38 4.097 -5.063 -3.367 1.00 0.00 C ATOM 542 O CYS A 38 3.515 -5.755 -2.532 1.00 0.00 O ATOM 543 CB CYS A 38 6.073 -3.761 -2.554 1.00 0.00 C ATOM 544 SG CYS A 38 7.751 -3.921 -1.865 1.00 0.00 S ATOM 0 H CYS A 38 6.692 -4.034 -4.922 1.00 0.00 H new ATOM 0 HA CYS A 38 6.027 -5.876 -2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.032 -2.869 -3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.369 -3.609 -1.736 1.00 0.00 H new ATOM 549 N PHE A 39 3.458 -4.364 -4.300 1.00 0.00 N ATOM 550 CA PHE A 39 2.003 -4.370 -4.396 1.00 0.00 C ATOM 551 C PHE A 39 1.488 -5.753 -4.784 1.00 0.00 C ATOM 552 O PHE A 39 0.447 -6.198 -4.301 1.00 0.00 O ATOM 553 CB PHE A 39 1.534 -3.334 -5.419 1.00 0.00 C ATOM 554 CG PHE A 39 0.097 -3.498 -5.824 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.918 -3.380 -4.889 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.238 -3.771 -7.141 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.241 -3.531 -5.258 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.560 -3.922 -7.516 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.563 -3.803 -6.573 1.00 0.00 C ATOM 0 H PHE A 39 3.925 -3.787 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 39 1.599 -4.113 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.674 -2.336 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.163 -3.401 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.672 -3.167 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.542 -3.867 -7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.023 -3.436 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.809 -4.133 -8.546 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.596 -3.922 -6.864 1.00 0.00 H new ATOM 569 N ARG A 40 2.226 -6.428 -5.660 1.00 0.00 N ATOM 570 CA ARG A 40 1.845 -7.759 -6.115 1.00 0.00 C ATOM 571 C ARG A 40 1.752 -8.729 -4.941 1.00 0.00 C ATOM 572 O ARG A 40 0.776 -9.467 -4.807 1.00 0.00 O ATOM 573 CB ARG A 40 2.853 -8.279 -7.141 1.00 0.00 C ATOM 574 CG ARG A 40 2.943 -7.423 -8.394 1.00 0.00 C ATOM 575 CD ARG A 40 3.754 -8.111 -9.481 1.00 0.00 C ATOM 576 NE ARG A 40 3.733 -7.363 -10.735 1.00 0.00 N ATOM 577 CZ ARG A 40 2.771 -7.477 -11.644 1.00 0.00 C ATOM 578 NH1 ARG A 40 1.756 -8.305 -11.438 1.00 0.00 N ATOM 579 NH2 ARG A 40 2.822 -6.762 -12.760 1.00 0.00 N ATOM 0 H ARG A 40 3.091 -6.074 -6.068 1.00 0.00 H new ATOM 0 HA ARG A 40 0.864 -7.688 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.837 -8.332 -6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.579 -9.295 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.940 -7.212 -8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.400 -6.464 -8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.785 -8.228 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.358 -9.113 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 40 4.500 -6.717 -10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.713 -8.856 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.018 -8.391 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.601 -6.123 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.082 -6.851 -13.457 1.00 0.00 H new ATOM 593 N LYS A 41 2.775 -8.723 -4.092 1.00 0.00 N ATOM 594 CA LYS A 41 2.810 -9.600 -2.929 1.00 0.00 C ATOM 595 C LYS A 41 1.625 -9.329 -2.007 1.00 0.00 C ATOM 596 O LYS A 41 1.106 -10.241 -1.362 1.00 0.00 O ATOM 597 CB LYS A 41 4.120 -9.412 -2.161 1.00 0.00 C ATOM 598 CG LYS A 41 5.294 -10.161 -2.767 1.00 0.00 C ATOM 599 CD LYS A 41 5.849 -9.438 -3.983 1.00 0.00 C ATOM 600 CE LYS A 41 6.987 -10.218 -4.623 1.00 0.00 C ATOM 601 NZ LYS A 41 7.115 -9.919 -6.077 1.00 0.00 N ATOM 0 H LYS A 41 3.591 -8.119 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 41 2.747 -10.630 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.359 -8.349 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.979 -9.745 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.080 -10.274 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.978 -11.165 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.054 -9.288 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.203 -8.450 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.922 -9.976 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.818 -11.286 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.121 -9.837 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.683 -10.687 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.631 -9.024 -6.291 1.00 0.00 H new ATOM 615 N HIS A 42 1.200 -8.071 -1.951 1.00 0.00 N ATOM 616 CA HIS A 42 0.074 -7.681 -1.109 1.00 0.00 C ATOM 617 C HIS A 42 -1.249 -8.093 -1.747 1.00 0.00 C ATOM 618 O HIS A 42 -2.044 -8.813 -1.142 1.00 0.00 O ATOM 619 CB HIS A 42 0.089 -6.171 -0.868 1.00 0.00 C ATOM 620 CG HIS A 42 -1.276 -5.577 -0.706 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.964 -5.587 0.489 1.00 0.00 N ATOM 622 CD2 HIS A 42 -2.080 -4.950 -1.596 1.00 0.00 C ATOM 623 CE1 HIS A 42 -3.133 -4.994 0.326 1.00 0.00 C ATOM 624 NE2 HIS A 42 -3.228 -4.598 -0.930 1.00 0.00 N ATOM 0 H HIS A 42 1.618 -7.304 -2.478 1.00 0.00 H new ATOM 0 HA HIS A 42 0.172 -8.195 -0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.677 -5.960 0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.592 -5.683 -1.703 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.623 -5.989 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.860 -4.762 -2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.884 -4.856 1.090 1.00 0.00 H new ATOM 632 N LYS A 43 -1.480 -7.631 -2.971 1.00 0.00 N ATOM 633 CA LYS A 43 -2.706 -7.952 -3.692 1.00 0.00 C ATOM 634 C LYS A 43 -3.140 -9.388 -3.416 1.00 0.00 C ATOM 635 O LYS A 43 -4.329 -9.669 -3.271 1.00 0.00 O ATOM 636 CB LYS A 43 -2.506 -7.748 -5.196 1.00 0.00 C ATOM 637 CG LYS A 43 -3.666 -8.252 -6.037 1.00 0.00 C ATOM 638 CD LYS A 43 -4.907 -7.396 -5.845 1.00 0.00 C ATOM 639 CE LYS A 43 -6.179 -8.208 -6.033 1.00 0.00 C ATOM 640 NZ LYS A 43 -7.377 -7.337 -6.182 1.00 0.00 N ATOM 0 H LYS A 43 -0.834 -7.032 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.490 -7.281 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.359 -6.686 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.594 -8.259 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.381 -8.251 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.890 -9.284 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.898 -6.959 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.894 -6.569 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.079 -8.841 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.316 -8.871 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.223 -7.929 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.488 -6.751 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.258 -6.722 -7.012 1.00 0.00 H new ATOM 654 N GLU A 44 -2.168 -10.292 -3.343 1.00 0.00 N ATOM 655 CA GLU A 44 -2.451 -11.698 -3.084 1.00 0.00 C ATOM 656 C GLU A 44 -3.538 -11.847 -2.022 1.00 0.00 C ATOM 657 O GLU A 44 -4.469 -12.637 -2.180 1.00 0.00 O ATOM 658 CB GLU A 44 -1.181 -12.423 -2.634 1.00 0.00 C ATOM 659 CG GLU A 44 -0.394 -13.039 -3.778 1.00 0.00 C ATOM 660 CD GLU A 44 0.188 -11.997 -4.714 1.00 0.00 C ATOM 661 OE1 GLU A 44 -0.590 -11.371 -5.463 1.00 0.00 O ATOM 662 OE2 GLU A 44 1.422 -11.809 -4.696 1.00 0.00 O ATOM 0 H GLU A 44 -1.178 -10.075 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.808 -12.147 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.541 -11.720 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.452 -13.207 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.413 -13.648 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.044 -13.707 -4.343 1.00 0.00 H new ATOM 669 N GLN A 45 -3.410 -11.084 -0.942 1.00 0.00 N ATOM 670 CA GLN A 45 -4.380 -11.132 0.146 1.00 0.00 C ATOM 671 C GLN A 45 -4.862 -9.731 0.508 1.00 0.00 C ATOM 672 O GLN A 45 -5.256 -9.473 1.646 1.00 0.00 O ATOM 673 CB GLN A 45 -3.768 -11.807 1.374 1.00 0.00 C ATOM 674 CG GLN A 45 -2.592 -11.046 1.964 1.00 0.00 C ATOM 675 CD GLN A 45 -1.271 -11.426 1.325 1.00 0.00 C ATOM 676 OE1 GLN A 45 -0.606 -10.595 0.705 1.00 0.00 O ATOM 677 NE2 GLN A 45 -0.883 -12.687 1.472 1.00 0.00 N ATOM 0 H GLN A 45 -2.645 -10.425 -0.797 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.237 -11.715 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.537 -11.919 2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.441 -12.810 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.757 -9.976 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.541 -11.238 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.465 -13.342 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.003 -13.001 1.063 1.00 0.00 H new ATOM 686 N CYS A 46 -4.827 -8.828 -0.466 1.00 0.00 N ATOM 687 CA CYS A 46 -5.259 -7.452 -0.251 1.00 0.00 C ATOM 688 C CYS A 46 -6.620 -7.411 0.437 1.00 0.00 C ATOM 689 O CYS A 46 -7.593 -7.981 -0.056 1.00 0.00 O ATOM 690 CB CYS A 46 -5.324 -6.702 -1.582 1.00 0.00 C ATOM 691 SG CYS A 46 -6.417 -5.244 -1.561 1.00 0.00 S ATOM 0 H CYS A 46 -4.504 -9.025 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.530 -6.965 0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.318 -6.385 -1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.666 -7.388 -2.357 1.00 0.00 H new ATOM 696 N ASN A 47 -6.681 -6.732 1.578 1.00 0.00 N ATOM 697 CA ASN A 47 -7.923 -6.616 2.333 1.00 0.00 C ATOM 698 C ASN A 47 -8.378 -5.162 2.411 1.00 0.00 C ATOM 699 O ASN A 47 -7.853 -4.361 3.185 1.00 0.00 O ATOM 700 CB ASN A 47 -7.740 -7.181 3.744 1.00 0.00 C ATOM 701 CG ASN A 47 -7.006 -8.508 3.744 1.00 0.00 C ATOM 702 OD1 ASN A 47 -5.820 -8.573 4.068 1.00 0.00 O ATOM 703 ND2 ASN A 47 -7.710 -9.574 3.381 1.00 0.00 N ATOM 0 H ASN A 47 -5.885 -6.254 2.000 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.690 -7.191 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.188 -6.463 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.717 -7.309 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.270 -10.494 3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.691 -9.473 3.120 1.00 0.00 H new ATOM 710 N PRO A 48 -9.380 -4.811 1.591 1.00 0.00 N ATOM 711 CA PRO A 48 -9.930 -3.453 1.548 1.00 0.00 C ATOM 712 C PRO A 48 -10.711 -3.104 2.811 1.00 0.00 C ATOM 713 O PRO A 48 -11.335 -2.047 2.892 1.00 0.00 O ATOM 714 CB PRO A 48 -10.863 -3.486 0.335 1.00 0.00 C ATOM 715 CG PRO A 48 -11.247 -4.918 0.191 1.00 0.00 C ATOM 716 CD PRO A 48 -10.054 -5.714 0.642 1.00 0.00 C ATOM 0 HA PRO A 48 -9.147 -2.698 1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.738 -2.855 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.361 -3.119 -0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.123 -5.150 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.504 -5.151 -0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.351 -6.648 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.405 -5.975 -0.194 1.00 0.00 H new ATOM 724 N GLU A 49 -10.670 -3.999 3.793 1.00 0.00 N ATOM 725 CA GLU A 49 -11.375 -3.784 5.051 1.00 0.00 C ATOM 726 C GLU A 49 -10.587 -2.848 5.963 1.00 0.00 C ATOM 727 O GLU A 49 -9.516 -3.201 6.458 1.00 0.00 O ATOM 728 CB GLU A 49 -11.619 -5.118 5.759 1.00 0.00 C ATOM 729 CG GLU A 49 -12.742 -5.937 5.145 1.00 0.00 C ATOM 730 CD GLU A 49 -12.457 -6.333 3.709 1.00 0.00 C ATOM 731 OE1 GLU A 49 -11.279 -6.594 3.387 1.00 0.00 O ATOM 732 OE2 GLU A 49 -13.414 -6.381 2.907 1.00 0.00 O ATOM 0 H GLU A 49 -10.157 -4.879 3.742 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.335 -3.320 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.700 -5.704 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.851 -4.926 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.899 -6.836 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.668 -5.363 5.183 1.00 0.00 H new ATOM 739 N THR A 50 -11.125 -1.652 6.180 1.00 0.00 N ATOM 740 CA THR A 50 -10.472 -0.664 7.030 1.00 0.00 C ATOM 741 C THR A 50 -11.293 -0.391 8.286 1.00 0.00 C ATOM 742 O THR A 50 -12.521 -0.474 8.266 1.00 0.00 O ATOM 743 CB THR A 50 -10.247 0.662 6.280 1.00 0.00 C ATOM 744 OG1 THR A 50 -9.541 1.585 7.117 1.00 0.00 O ATOM 745 CG2 THR A 50 -11.572 1.272 5.849 1.00 0.00 C ATOM 0 H THR A 50 -12.011 -1.344 5.779 1.00 0.00 H new ATOM 0 HA THR A 50 -9.506 -1.081 7.314 1.00 0.00 H new ATOM 0 HB THR A 50 -9.654 0.453 5.389 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.400 2.425 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.387 2.208 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.093 0.580 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.186 1.466 6.728 1.00 0.00 H new ATOM 753 N SER A 51 -10.607 -0.064 9.376 1.00 0.00 N ATOM 754 CA SER A 51 -11.274 0.219 10.642 1.00 0.00 C ATOM 755 C SER A 51 -10.705 1.479 11.286 1.00 0.00 C ATOM 756 O SER A 51 -9.627 1.945 10.919 1.00 0.00 O ATOM 757 CB SER A 51 -11.125 -0.967 11.597 1.00 0.00 C ATOM 758 OG SER A 51 -9.777 -1.127 12.006 1.00 0.00 O ATOM 0 H SER A 51 -9.590 0.012 9.408 1.00 0.00 H new ATOM 0 HA SER A 51 -12.332 0.382 10.438 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.758 -0.816 12.471 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.470 -1.878 11.107 1.00 0.00 H new ATOM 0 HG SER A 51 -9.709 -1.890 12.617 1.00 0.00 H new ATOM 764 N GLY A 52 -11.438 2.027 12.251 1.00 0.00 N ATOM 765 CA GLY A 52 -10.992 3.228 12.931 1.00 0.00 C ATOM 766 C GLY A 52 -12.072 4.289 13.003 1.00 0.00 C ATOM 767 O GLY A 52 -13.235 4.044 12.685 1.00 0.00 O ATOM 0 H GLY A 52 -12.333 1.660 12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.671 2.972 13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.123 3.633 12.413 1.00 0.00 H new ATOM 771 N PRO A 53 -11.689 5.501 13.431 1.00 0.00 N ATOM 772 CA PRO A 53 -12.618 6.628 13.555 1.00 0.00 C ATOM 773 C PRO A 53 -13.085 7.146 12.198 1.00 0.00 C ATOM 774 O PRO A 53 -12.428 6.927 11.180 1.00 0.00 O ATOM 775 CB PRO A 53 -11.791 7.693 14.279 1.00 0.00 C ATOM 776 CG PRO A 53 -10.377 7.363 13.948 1.00 0.00 C ATOM 777 CD PRO A 53 -10.318 5.866 13.827 1.00 0.00 C ATOM 0 HA PRO A 53 -13.530 6.348 14.082 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.053 8.696 13.941 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.963 7.664 15.355 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.072 7.842 13.017 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.701 7.718 14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.587 5.552 13.082 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.034 5.398 14.769 1.00 0.00 H new ATOM 785 N SER A 54 -14.221 7.836 12.192 1.00 0.00 N ATOM 786 CA SER A 54 -14.776 8.383 10.960 1.00 0.00 C ATOM 787 C SER A 54 -14.075 9.683 10.578 1.00 0.00 C ATOM 788 O SER A 54 -14.554 10.774 10.888 1.00 0.00 O ATOM 789 CB SER A 54 -16.278 8.628 11.117 1.00 0.00 C ATOM 790 OG SER A 54 -16.957 7.431 11.457 1.00 0.00 O ATOM 0 H SER A 54 -14.775 8.029 13.026 1.00 0.00 H new ATOM 0 HA SER A 54 -14.614 7.656 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.449 9.378 11.889 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.683 9.029 10.188 1.00 0.00 H new ATOM 0 HG SER A 54 -17.915 7.614 11.553 1.00 0.00 H new ATOM 796 N SER A 55 -12.936 9.558 9.904 1.00 0.00 N ATOM 797 CA SER A 55 -12.166 10.722 9.483 1.00 0.00 C ATOM 798 C SER A 55 -13.089 11.872 9.091 1.00 0.00 C ATOM 799 O SER A 55 -13.977 11.712 8.255 1.00 0.00 O ATOM 800 CB SER A 55 -11.256 10.359 8.307 1.00 0.00 C ATOM 801 OG SER A 55 -10.265 9.425 8.698 1.00 0.00 O ATOM 0 H SER A 55 -12.526 8.663 9.638 1.00 0.00 H new ATOM 0 HA SER A 55 -11.551 11.044 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.853 9.942 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.779 11.260 7.921 1.00 0.00 H new ATOM 0 HG SER A 55 -9.698 9.208 7.929 1.00 0.00 H new ATOM 807 N GLY A 56 -12.871 13.032 9.702 1.00 0.00 N ATOM 808 CA GLY A 56 -13.690 14.192 9.405 1.00 0.00 C ATOM 809 C GLY A 56 -12.861 15.422 9.090 1.00 0.00 C ATOM 810 O GLY A 56 -11.994 15.354 8.221 1.00 0.00 O ATOM 0 H GLY A 56 -12.142 13.189 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.338 13.968 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.338 14.403 10.256 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 7.983 -1.695 -0.949 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.968 -3.413 -1.047 1.00 0.00 ZN