USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=17 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.335 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.048 (180deg=-0.376) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0183 (180deg=-0.258) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -64:sc=0.000676 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0116) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.51) USER MOD Single : A 47 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.041) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 12:sc= 0.799 USER MOD Single : A 54 SER OG : rot 7:sc= 0.706! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.647 40.991 12.329 1.00 0.00 N ATOM 2 CA GLY A 1 -8.485 40.890 13.192 1.00 0.00 C ATOM 3 C GLY A 1 -8.535 39.672 14.092 1.00 0.00 C ATOM 4 O GLY A 1 -8.636 39.797 15.313 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.565 41.840 11.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.704 40.148 11.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.507 41.058 12.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.584 40.849 12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.413 41.788 13.805 1.00 0.00 H new ATOM 8 N SER A 2 -8.466 38.489 13.490 1.00 0.00 N ATOM 9 CA SER A 2 -8.510 37.243 14.245 1.00 0.00 C ATOM 10 C SER A 2 -7.493 36.243 13.702 1.00 0.00 C ATOM 11 O SER A 2 -7.229 36.199 12.501 1.00 0.00 O ATOM 12 CB SER A 2 -9.914 36.639 14.192 1.00 0.00 C ATOM 13 OG SER A 2 -10.872 37.527 14.740 1.00 0.00 O ATOM 0 H SER A 2 -8.379 38.368 12.481 1.00 0.00 H new ATOM 0 HA SER A 2 -8.257 37.466 15.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.176 36.409 13.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.929 35.698 14.742 1.00 0.00 H new ATOM 0 HG SER A 2 -11.761 37.118 14.693 1.00 0.00 H new ATOM 19 N SER A 3 -6.925 35.441 14.597 1.00 0.00 N ATOM 20 CA SER A 3 -5.934 34.444 14.210 1.00 0.00 C ATOM 21 C SER A 3 -6.527 33.039 14.267 1.00 0.00 C ATOM 22 O SER A 3 -7.323 32.724 15.150 1.00 0.00 O ATOM 23 CB SER A 3 -4.709 34.530 15.123 1.00 0.00 C ATOM 24 OG SER A 3 -3.679 33.666 14.675 1.00 0.00 O ATOM 0 H SER A 3 -7.134 35.462 15.595 1.00 0.00 H new ATOM 0 HA SER A 3 -5.629 34.650 13.184 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.342 35.556 15.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.992 34.267 16.142 1.00 0.00 H new ATOM 0 HG SER A 3 -2.906 33.740 15.273 1.00 0.00 H new ATOM 30 N GLY A 4 -6.132 32.197 13.316 1.00 0.00 N ATOM 31 CA GLY A 4 -6.633 30.836 13.275 1.00 0.00 C ATOM 32 C GLY A 4 -5.526 29.807 13.396 1.00 0.00 C ATOM 33 O GLY A 4 -4.355 30.159 13.538 1.00 0.00 O ATOM 0 H GLY A 4 -5.474 32.434 12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.349 30.691 14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.171 30.678 12.340 1.00 0.00 H new ATOM 37 N SER A 5 -5.898 28.532 13.342 1.00 0.00 N ATOM 38 CA SER A 5 -4.928 27.448 13.452 1.00 0.00 C ATOM 39 C SER A 5 -5.003 26.527 12.238 1.00 0.00 C ATOM 40 O SER A 5 -5.814 25.602 12.196 1.00 0.00 O ATOM 41 CB SER A 5 -5.173 26.646 14.732 1.00 0.00 C ATOM 42 OG SER A 5 -4.381 25.470 14.755 1.00 0.00 O ATOM 0 H SER A 5 -6.863 28.224 13.223 1.00 0.00 H new ATOM 0 HA SER A 5 -3.931 27.887 13.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.941 27.262 15.601 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.228 26.380 14.802 1.00 0.00 H new ATOM 0 HG SER A 5 -4.554 24.975 15.583 1.00 0.00 H new ATOM 48 N SER A 6 -4.150 26.787 11.253 1.00 0.00 N ATOM 49 CA SER A 6 -4.121 25.985 10.035 1.00 0.00 C ATOM 50 C SER A 6 -3.040 24.911 10.118 1.00 0.00 C ATOM 51 O SER A 6 -1.847 25.212 10.092 1.00 0.00 O ATOM 52 CB SER A 6 -3.877 26.877 8.817 1.00 0.00 C ATOM 53 OG SER A 6 -2.734 27.694 9.003 1.00 0.00 O ATOM 0 H SER A 6 -3.470 27.547 11.274 1.00 0.00 H new ATOM 0 HA SER A 6 -5.089 25.495 9.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.745 26.258 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.751 27.504 8.641 1.00 0.00 H new ATOM 0 HG SER A 6 -2.054 27.196 9.503 1.00 0.00 H new ATOM 59 N GLY A 7 -3.468 23.656 10.219 1.00 0.00 N ATOM 60 CA GLY A 7 -2.525 22.556 10.305 1.00 0.00 C ATOM 61 C GLY A 7 -3.209 21.225 10.547 1.00 0.00 C ATOM 62 O GLY A 7 -3.869 21.035 11.570 1.00 0.00 O ATOM 0 H GLY A 7 -4.450 23.382 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.949 22.502 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.818 22.750 11.111 1.00 0.00 H new ATOM 66 N LEU A 8 -3.052 20.301 9.606 1.00 0.00 N ATOM 67 CA LEU A 8 -3.660 18.980 9.721 1.00 0.00 C ATOM 68 C LEU A 8 -2.692 17.988 10.356 1.00 0.00 C ATOM 69 O LEU A 8 -1.498 18.262 10.481 1.00 0.00 O ATOM 70 CB LEU A 8 -4.096 18.475 8.344 1.00 0.00 C ATOM 71 CG LEU A 8 -2.992 17.886 7.466 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.586 16.982 6.397 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.167 18.995 6.830 1.00 0.00 C ATOM 0 H LEU A 8 -2.509 20.442 8.754 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.536 19.066 10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.865 17.716 8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.559 19.302 7.805 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.334 17.287 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.785 16.572 5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.132 16.167 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.267 17.558 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.386 18.557 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.812 19.621 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.711 19.603 7.611 1.00 0.00 H new ATOM 85 N LYS A 9 -3.213 16.832 10.755 1.00 0.00 N ATOM 86 CA LYS A 9 -2.395 15.796 11.374 1.00 0.00 C ATOM 87 C LYS A 9 -2.445 14.506 10.562 1.00 0.00 C ATOM 88 O LYS A 9 -3.421 14.241 9.858 1.00 0.00 O ATOM 89 CB LYS A 9 -2.870 15.529 12.804 1.00 0.00 C ATOM 90 CG LYS A 9 -4.272 14.951 12.882 1.00 0.00 C ATOM 91 CD LYS A 9 -4.250 13.432 12.849 1.00 0.00 C ATOM 92 CE LYS A 9 -5.658 12.854 12.854 1.00 0.00 C ATOM 93 NZ LYS A 9 -6.292 12.949 14.198 1.00 0.00 N ATOM 0 H LYS A 9 -4.199 16.589 10.660 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.364 16.149 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.175 14.841 13.286 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.839 16.461 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.756 15.289 13.798 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.868 15.326 12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.720 13.094 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.698 13.056 13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.271 13.384 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.623 11.810 12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.249 12.545 14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.721 12.422 14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.349 13.947 14.485 1.00 0.00 H new ATOM 107 N CYS A 10 -1.388 13.707 10.664 1.00 0.00 N ATOM 108 CA CYS A 10 -1.312 12.444 9.939 1.00 0.00 C ATOM 109 C CYS A 10 -0.137 11.605 10.430 1.00 0.00 C ATOM 110 O CYS A 10 0.955 12.124 10.661 1.00 0.00 O ATOM 111 CB CYS A 10 -1.179 12.701 8.437 1.00 0.00 C ATOM 112 SG CYS A 10 -1.264 11.207 7.422 1.00 0.00 S ATOM 0 H CYS A 10 -0.573 13.912 11.241 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.233 11.891 10.125 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.968 13.385 8.125 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.230 13.202 8.248 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.144 11.527 6.168 1.00 0.00 H new ATOM 118 N SER A 11 -0.369 10.306 10.589 1.00 0.00 N ATOM 119 CA SER A 11 0.669 9.396 11.058 1.00 0.00 C ATOM 120 C SER A 11 1.518 8.893 9.894 1.00 0.00 C ATOM 121 O SER A 11 0.993 8.410 8.890 1.00 0.00 O ATOM 122 CB SER A 11 0.043 8.211 11.796 1.00 0.00 C ATOM 123 OG SER A 11 0.947 7.662 12.740 1.00 0.00 O ATOM 0 H SER A 11 -1.267 9.860 10.400 1.00 0.00 H new ATOM 0 HA SER A 11 1.314 9.944 11.745 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.866 8.534 12.304 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.248 7.444 11.078 1.00 0.00 H new ATOM 0 HG SER A 11 0.522 6.908 13.199 1.00 0.00 H new ATOM 129 N THR A 12 2.835 9.011 10.036 1.00 0.00 N ATOM 130 CA THR A 12 3.758 8.571 8.997 1.00 0.00 C ATOM 131 C THR A 12 3.730 7.054 8.844 1.00 0.00 C ATOM 132 O THR A 12 3.790 6.319 9.829 1.00 0.00 O ATOM 133 CB THR A 12 5.200 9.018 9.301 1.00 0.00 C ATOM 134 OG1 THR A 12 6.080 8.573 8.263 1.00 0.00 O ATOM 135 CG2 THR A 12 5.667 8.466 10.640 1.00 0.00 C ATOM 0 H THR A 12 3.286 9.408 10.860 1.00 0.00 H new ATOM 0 HA THR A 12 3.431 9.034 8.066 1.00 0.00 H new ATOM 0 HB THR A 12 5.217 10.107 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.995 8.863 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.688 8.795 10.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.013 8.830 11.432 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.635 7.377 10.616 1.00 0.00 H new ATOM 143 N VAL A 13 3.638 6.592 7.601 1.00 0.00 N ATOM 144 CA VAL A 13 3.604 5.162 7.318 1.00 0.00 C ATOM 145 C VAL A 13 4.571 4.800 6.196 1.00 0.00 C ATOM 146 O VAL A 13 4.818 5.600 5.293 1.00 0.00 O ATOM 147 CB VAL A 13 2.187 4.700 6.929 1.00 0.00 C ATOM 148 CG1 VAL A 13 1.796 5.263 5.572 1.00 0.00 C ATOM 149 CG2 VAL A 13 2.103 3.181 6.931 1.00 0.00 C ATOM 0 H VAL A 13 3.586 7.187 6.774 1.00 0.00 H new ATOM 0 HA VAL A 13 3.906 4.652 8.232 1.00 0.00 H new ATOM 0 HB VAL A 13 1.483 5.080 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.792 4.926 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.814 6.352 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.501 4.915 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.095 2.872 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.817 2.776 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.337 2.805 7.927 1.00 0.00 H new ATOM 159 N VAL A 14 5.114 3.589 6.258 1.00 0.00 N ATOM 160 CA VAL A 14 6.053 3.120 5.245 1.00 0.00 C ATOM 161 C VAL A 14 5.587 1.805 4.631 1.00 0.00 C ATOM 162 O VAL A 14 4.854 1.039 5.258 1.00 0.00 O ATOM 163 CB VAL A 14 7.463 2.927 5.834 1.00 0.00 C ATOM 164 CG1 VAL A 14 8.026 4.254 6.318 1.00 0.00 C ATOM 165 CG2 VAL A 14 7.434 1.907 6.963 1.00 0.00 C ATOM 0 H VAL A 14 4.920 2.915 6.998 1.00 0.00 H new ATOM 0 HA VAL A 14 6.092 3.886 4.470 1.00 0.00 H new ATOM 0 HB VAL A 14 8.117 2.547 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.023 4.098 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.085 4.951 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.375 4.666 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.439 1.783 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.766 2.255 7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.076 0.951 6.581 1.00 0.00 H new ATOM 175 N CYS A 15 6.016 1.549 3.399 1.00 0.00 N ATOM 176 CA CYS A 15 5.643 0.326 2.698 1.00 0.00 C ATOM 177 C CYS A 15 5.522 -0.843 3.670 1.00 0.00 C ATOM 178 O CYS A 15 6.463 -1.160 4.398 1.00 0.00 O ATOM 179 CB CYS A 15 6.674 0.000 1.616 1.00 0.00 C ATOM 180 SG CYS A 15 6.145 -1.298 0.452 1.00 0.00 S ATOM 0 H CYS A 15 6.622 2.172 2.866 1.00 0.00 H new ATOM 0 HA CYS A 15 4.672 0.487 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.896 0.908 1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.602 -0.313 2.095 1.00 0.00 H new ATOM 185 N VAL A 16 4.356 -1.482 3.677 1.00 0.00 N ATOM 186 CA VAL A 16 4.111 -2.618 4.558 1.00 0.00 C ATOM 187 C VAL A 16 4.786 -3.878 4.030 1.00 0.00 C ATOM 188 O VAL A 16 4.507 -4.984 4.494 1.00 0.00 O ATOM 189 CB VAL A 16 2.603 -2.886 4.722 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.901 -1.661 5.289 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.988 -3.295 3.393 1.00 0.00 C ATOM 0 H VAL A 16 3.566 -1.232 3.082 1.00 0.00 H new ATOM 0 HA VAL A 16 4.534 -2.363 5.529 1.00 0.00 H new ATOM 0 HB VAL A 16 2.472 -3.708 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.837 -1.869 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.324 -1.417 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.038 -0.817 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.922 -3.481 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.128 -2.495 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.472 -4.203 3.032 1.00 0.00 H new ATOM 201 N ILE A 17 5.674 -3.704 3.058 1.00 0.00 N ATOM 202 CA ILE A 17 6.390 -4.829 2.467 1.00 0.00 C ATOM 203 C ILE A 17 7.892 -4.709 2.704 1.00 0.00 C ATOM 204 O ILE A 17 8.505 -5.576 3.328 1.00 0.00 O ATOM 205 CB ILE A 17 6.127 -4.932 0.954 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.622 -4.965 0.677 1.00 0.00 C ATOM 207 CG2 ILE A 17 6.803 -6.169 0.381 1.00 0.00 C ATOM 208 CD1 ILE A 17 3.924 -6.164 1.277 1.00 0.00 C ATOM 0 H ILE A 17 5.916 -2.795 2.662 1.00 0.00 H new ATOM 0 HA ILE A 17 6.018 -5.731 2.953 1.00 0.00 H new ATOM 0 HB ILE A 17 6.549 -4.053 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.168 -4.056 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.459 -4.961 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.607 -6.227 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.878 -6.108 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.408 -7.059 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.861 -6.122 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.351 -7.078 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.056 -6.158 2.359 1.00 0.00 H new ATOM 220 N CYS A 18 8.480 -3.628 2.202 1.00 0.00 N ATOM 221 CA CYS A 18 9.910 -3.392 2.359 1.00 0.00 C ATOM 222 C CYS A 18 10.172 -2.300 3.392 1.00 0.00 C ATOM 223 O CYS A 18 11.280 -2.178 3.916 1.00 0.00 O ATOM 224 CB CYS A 18 10.534 -3.001 1.018 1.00 0.00 C ATOM 225 SG CYS A 18 9.982 -1.384 0.385 1.00 0.00 S ATOM 0 H CYS A 18 7.988 -2.901 1.683 1.00 0.00 H new ATOM 0 HA CYS A 18 10.368 -4.317 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.619 -2.987 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.296 -3.768 0.281 1.00 0.00 H new ATOM 230 N LEU A 19 9.144 -1.509 3.681 1.00 0.00 N ATOM 231 CA LEU A 19 9.262 -0.427 4.652 1.00 0.00 C ATOM 232 C LEU A 19 10.125 0.705 4.105 1.00 0.00 C ATOM 233 O LEU A 19 11.102 1.112 4.733 1.00 0.00 O ATOM 234 CB LEU A 19 9.857 -0.952 5.960 1.00 0.00 C ATOM 235 CG LEU A 19 9.240 -2.238 6.511 1.00 0.00 C ATOM 236 CD1 LEU A 19 10.268 -3.024 7.309 1.00 0.00 C ATOM 237 CD2 LEU A 19 8.024 -1.921 7.370 1.00 0.00 C ATOM 0 H LEU A 19 8.220 -1.597 3.257 1.00 0.00 H new ATOM 0 HA LEU A 19 8.263 -0.035 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.923 -1.120 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.761 -0.174 6.717 1.00 0.00 H new ATOM 0 HG LEU A 19 8.916 -2.852 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.811 -3.936 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.108 -3.283 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.623 -2.417 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.598 -2.848 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.323 -1.287 8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.279 -1.401 6.768 1.00 0.00 H new ATOM 249 N GLU A 20 9.757 1.209 2.931 1.00 0.00 N ATOM 250 CA GLU A 20 10.498 2.295 2.301 1.00 0.00 C ATOM 251 C GLU A 20 9.551 3.384 1.806 1.00 0.00 C ATOM 252 O GLU A 20 8.369 3.134 1.568 1.00 0.00 O ATOM 253 CB GLU A 20 11.334 1.762 1.135 1.00 0.00 C ATOM 254 CG GLU A 20 12.377 0.739 1.552 1.00 0.00 C ATOM 255 CD GLU A 20 13.473 0.569 0.518 1.00 0.00 C ATOM 256 OE1 GLU A 20 13.143 0.316 -0.660 1.00 0.00 O ATOM 257 OE2 GLU A 20 14.661 0.688 0.886 1.00 0.00 O ATOM 0 H GLU A 20 8.951 0.883 2.398 1.00 0.00 H new ATOM 0 HA GLU A 20 11.163 2.728 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.669 1.311 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.833 2.598 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.821 1.044 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.891 -0.222 1.722 1.00 0.00 H new ATOM 264 N LYS A 21 10.079 4.594 1.652 1.00 0.00 N ATOM 265 CA LYS A 21 9.283 5.723 1.185 1.00 0.00 C ATOM 266 C LYS A 21 8.304 5.286 0.100 1.00 0.00 C ATOM 267 O LYS A 21 8.661 5.138 -1.069 1.00 0.00 O ATOM 268 CB LYS A 21 10.195 6.829 0.649 1.00 0.00 C ATOM 269 CG LYS A 21 10.624 7.829 1.708 1.00 0.00 C ATOM 270 CD LYS A 21 11.837 8.628 1.262 1.00 0.00 C ATOM 271 CE LYS A 21 13.105 7.791 1.311 1.00 0.00 C ATOM 272 NZ LYS A 21 13.465 7.411 2.705 1.00 0.00 N ATOM 0 H LYS A 21 11.055 4.818 1.844 1.00 0.00 H new ATOM 0 HA LYS A 21 8.713 6.108 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.083 6.375 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.678 7.359 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.799 8.508 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.854 7.303 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.680 8.993 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.953 9.503 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.969 6.890 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.927 8.350 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.467 7.133 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.307 8.221 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.873 6.613 3.011 1.00 0.00 H new ATOM 286 N PRO A 22 7.039 5.075 0.493 1.00 0.00 N ATOM 287 CA PRO A 22 5.982 4.655 -0.432 1.00 0.00 C ATOM 288 C PRO A 22 5.598 5.758 -1.413 1.00 0.00 C ATOM 289 O PRO A 22 5.185 6.845 -1.009 1.00 0.00 O ATOM 290 CB PRO A 22 4.808 4.330 0.495 1.00 0.00 C ATOM 291 CG PRO A 22 5.049 5.152 1.714 1.00 0.00 C ATOM 292 CD PRO A 22 6.542 5.232 1.870 1.00 0.00 C ATOM 0 HA PRO A 22 6.295 3.817 -1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.855 4.582 0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.775 3.267 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.614 6.146 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.589 4.695 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.850 6.184 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.920 4.447 2.525 1.00 0.00 H new ATOM 300 N LYS A 23 5.735 5.470 -2.703 1.00 0.00 N ATOM 301 CA LYS A 23 5.400 6.436 -3.742 1.00 0.00 C ATOM 302 C LYS A 23 3.898 6.449 -4.010 1.00 0.00 C ATOM 303 O LYS A 23 3.305 7.506 -4.226 1.00 0.00 O ATOM 304 CB LYS A 23 6.156 6.111 -5.032 1.00 0.00 C ATOM 305 CG LYS A 23 7.667 6.163 -4.881 1.00 0.00 C ATOM 306 CD LYS A 23 8.362 6.204 -6.232 1.00 0.00 C ATOM 307 CE LYS A 23 8.225 7.569 -6.888 1.00 0.00 C ATOM 308 NZ LYS A 23 8.991 8.615 -6.155 1.00 0.00 N ATOM 0 H LYS A 23 6.076 4.575 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 23 5.697 7.425 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.867 5.116 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.852 6.814 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.945 7.043 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.008 5.292 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.418 5.964 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.937 5.441 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.578 7.514 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.172 7.850 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.130 9.440 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.462 8.902 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.917 8.234 -5.873 1.00 0.00 H new ATOM 322 N TYR A 24 3.289 5.268 -3.993 1.00 0.00 N ATOM 323 CA TYR A 24 1.857 5.144 -4.236 1.00 0.00 C ATOM 324 C TYR A 24 1.209 4.220 -3.209 1.00 0.00 C ATOM 325 O TYR A 24 1.897 3.518 -2.468 1.00 0.00 O ATOM 326 CB TYR A 24 1.602 4.614 -5.648 1.00 0.00 C ATOM 327 CG TYR A 24 2.639 5.054 -6.656 1.00 0.00 C ATOM 328 CD1 TYR A 24 3.823 4.344 -6.817 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.436 6.178 -7.447 1.00 0.00 C ATOM 330 CE1 TYR A 24 4.774 4.742 -7.737 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.381 6.582 -8.370 1.00 0.00 C ATOM 332 CZ TYR A 24 4.549 5.861 -8.511 1.00 0.00 C ATOM 333 OH TYR A 24 5.493 6.262 -9.428 1.00 0.00 O ATOM 0 H TYR A 24 3.765 4.384 -3.814 1.00 0.00 H new ATOM 0 HA TYR A 24 1.411 6.134 -4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.575 3.525 -5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.619 4.948 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.003 3.467 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.524 6.746 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.689 4.180 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.207 7.457 -8.978 1.00 0.00 H new ATOM 0 HH TYR A 24 5.178 7.067 -9.891 1.00 0.00 H new ATOM 343 N ARG A 25 -0.119 4.225 -3.173 1.00 0.00 N ATOM 344 CA ARG A 25 -0.862 3.389 -2.238 1.00 0.00 C ATOM 345 C ARG A 25 -1.907 2.551 -2.969 1.00 0.00 C ATOM 346 O ARG A 25 -2.268 2.846 -4.108 1.00 0.00 O ATOM 347 CB ARG A 25 -1.540 4.254 -1.174 1.00 0.00 C ATOM 348 CG ARG A 25 -0.648 4.567 0.016 1.00 0.00 C ATOM 349 CD ARG A 25 -1.385 5.383 1.066 1.00 0.00 C ATOM 350 NE ARG A 25 -1.389 6.809 0.748 1.00 0.00 N ATOM 351 CZ ARG A 25 -1.676 7.758 1.631 1.00 0.00 C ATOM 352 NH1 ARG A 25 -1.980 7.436 2.881 1.00 0.00 N ATOM 353 NH2 ARG A 25 -1.659 9.034 1.265 1.00 0.00 N ATOM 0 H ARG A 25 -0.703 4.799 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.156 2.715 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.864 5.189 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.437 3.745 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.292 3.637 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.231 5.116 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.412 5.027 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.917 5.230 2.038 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.159 7.091 -0.205 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.994 6.457 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.200 8.167 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.425 9.286 0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.880 9.762 1.944 1.00 0.00 H new ATOM 367 N CYS A 26 -2.387 1.504 -2.307 1.00 0.00 N ATOM 368 CA CYS A 26 -3.389 0.622 -2.892 1.00 0.00 C ATOM 369 C CYS A 26 -4.759 1.294 -2.914 1.00 0.00 C ATOM 370 O CYS A 26 -5.289 1.715 -1.885 1.00 0.00 O ATOM 371 CB CYS A 26 -3.465 -0.690 -2.109 1.00 0.00 C ATOM 372 SG CYS A 26 -4.758 -1.832 -2.695 1.00 0.00 S ATOM 0 H CYS A 26 -2.098 1.246 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.092 0.407 -3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.499 -1.192 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.644 -0.464 -1.058 1.00 0.00 H new ATOM 377 N PRO A 27 -5.348 1.398 -4.115 1.00 0.00 N ATOM 378 CA PRO A 27 -6.664 2.017 -4.300 1.00 0.00 C ATOM 379 C PRO A 27 -7.790 1.173 -3.712 1.00 0.00 C ATOM 380 O PRO A 27 -8.967 1.447 -3.940 1.00 0.00 O ATOM 381 CB PRO A 27 -6.802 2.107 -5.822 1.00 0.00 C ATOM 382 CG PRO A 27 -5.925 1.024 -6.347 1.00 0.00 C ATOM 383 CD PRO A 27 -4.775 0.919 -5.384 1.00 0.00 C ATOM 0 HA PRO A 27 -6.737 2.979 -3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.836 1.965 -6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.489 3.084 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.467 0.080 -6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.573 1.259 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.413 -0.106 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.930 1.531 -5.699 1.00 0.00 H new ATOM 391 N ALA A 28 -7.419 0.146 -2.954 1.00 0.00 N ATOM 392 CA ALA A 28 -8.398 -0.736 -2.331 1.00 0.00 C ATOM 393 C ALA A 28 -8.404 -0.567 -0.816 1.00 0.00 C ATOM 394 O ALA A 28 -9.397 -0.130 -0.233 1.00 0.00 O ATOM 395 CB ALA A 28 -8.114 -2.184 -2.702 1.00 0.00 C ATOM 0 H ALA A 28 -6.448 -0.095 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.385 -0.464 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.853 -2.832 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.169 -2.300 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.117 -2.459 -2.358 1.00 0.00 H new ATOM 401 N CYS A 29 -7.289 -0.916 -0.182 1.00 0.00 N ATOM 402 CA CYS A 29 -7.166 -0.804 1.266 1.00 0.00 C ATOM 403 C CYS A 29 -6.401 0.460 1.651 1.00 0.00 C ATOM 404 O CYS A 29 -6.415 0.878 2.809 1.00 0.00 O ATOM 405 CB CYS A 29 -6.457 -2.035 1.835 1.00 0.00 C ATOM 406 SG CYS A 29 -4.958 -2.518 0.921 1.00 0.00 S ATOM 0 H CYS A 29 -6.458 -1.279 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.169 -0.743 1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.189 -1.839 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.154 -2.873 1.838 1.00 0.00 H new ATOM 411 N ARG A 30 -5.735 1.063 0.671 1.00 0.00 N ATOM 412 CA ARG A 30 -4.964 2.278 0.907 1.00 0.00 C ATOM 413 C ARG A 30 -3.706 1.975 1.716 1.00 0.00 C ATOM 414 O ARG A 30 -3.472 2.573 2.767 1.00 0.00 O ATOM 415 CB ARG A 30 -5.818 3.315 1.640 1.00 0.00 C ATOM 416 CG ARG A 30 -7.189 3.524 1.019 1.00 0.00 C ATOM 417 CD ARG A 30 -7.097 4.306 -0.283 1.00 0.00 C ATOM 418 NE ARG A 30 -6.768 5.710 -0.056 1.00 0.00 N ATOM 419 CZ ARG A 30 -6.538 6.578 -1.035 1.00 0.00 C ATOM 420 NH1 ARG A 30 -6.601 6.188 -2.300 1.00 0.00 N ATOM 421 NH2 ARG A 30 -6.244 7.840 -0.748 1.00 0.00 N ATOM 0 H ARG A 30 -5.714 0.730 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.664 2.682 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.942 3.003 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.286 4.266 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.656 2.557 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.830 4.057 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.339 3.855 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.046 4.237 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.712 6.043 0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.827 5.219 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.424 6.857 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.195 8.144 0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.067 8.506 -1.500 1.00 0.00 H new ATOM 435 N VAL A 31 -2.900 1.043 1.219 1.00 0.00 N ATOM 436 CA VAL A 31 -1.665 0.661 1.894 1.00 0.00 C ATOM 437 C VAL A 31 -0.447 1.225 1.173 1.00 0.00 C ATOM 438 O VAL A 31 -0.437 1.389 -0.047 1.00 0.00 O ATOM 439 CB VAL A 31 -1.528 -0.870 1.990 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.582 -1.444 2.925 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.630 -1.501 0.609 1.00 0.00 C ATOM 0 H VAL A 31 -3.080 0.538 0.351 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.713 1.078 2.900 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.546 -1.104 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.469 -2.527 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.458 -1.015 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.575 -1.202 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.531 -2.583 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.597 -1.259 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.835 -1.114 -0.028 1.00 0.00 H new ATOM 451 N PRO A 32 0.608 1.531 1.943 1.00 0.00 N ATOM 452 CA PRO A 32 1.853 2.081 1.399 1.00 0.00 C ATOM 453 C PRO A 32 2.627 1.058 0.575 1.00 0.00 C ATOM 454 O PRO A 32 2.900 -0.049 1.039 1.00 0.00 O ATOM 455 CB PRO A 32 2.645 2.470 2.649 1.00 0.00 C ATOM 456 CG PRO A 32 2.120 1.581 3.723 1.00 0.00 C ATOM 457 CD PRO A 32 0.667 1.362 3.405 1.00 0.00 C ATOM 0 HA PRO A 32 1.668 2.913 0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.715 2.323 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.499 3.521 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.661 0.635 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.240 2.041 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.335 0.369 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.030 2.082 3.919 1.00 0.00 H new ATOM 465 N TYR A 33 2.978 1.435 -0.650 1.00 0.00 N ATOM 466 CA TYR A 33 3.720 0.550 -1.539 1.00 0.00 C ATOM 467 C TYR A 33 4.590 1.350 -2.504 1.00 0.00 C ATOM 468 O TYR A 33 4.094 2.194 -3.252 1.00 0.00 O ATOM 469 CB TYR A 33 2.756 -0.342 -2.324 1.00 0.00 C ATOM 470 CG TYR A 33 2.393 0.209 -3.685 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.330 0.258 -4.709 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.112 0.679 -3.946 1.00 0.00 C ATOM 473 CE1 TYR A 33 3.003 0.761 -5.953 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.775 1.183 -5.187 1.00 0.00 C ATOM 475 CZ TYR A 33 1.724 1.222 -6.187 1.00 0.00 C ATOM 476 OH TYR A 33 1.393 1.723 -7.426 1.00 0.00 O ATOM 0 H TYR A 33 2.760 2.348 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 33 4.370 -0.076 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.205 -1.327 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.845 -0.479 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.332 -0.104 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.367 0.650 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.744 0.793 -6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.226 1.544 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 33 1.923 2.528 -7.606 1.00 0.00 H new ATOM 486 N CYS A 34 5.890 1.078 -2.482 1.00 0.00 N ATOM 487 CA CYS A 34 6.832 1.771 -3.353 1.00 0.00 C ATOM 488 C CYS A 34 6.514 1.501 -4.821 1.00 0.00 C ATOM 489 O CYS A 34 6.012 2.374 -5.529 1.00 0.00 O ATOM 490 CB CYS A 34 8.264 1.334 -3.041 1.00 0.00 C ATOM 491 SG CYS A 34 8.436 -0.443 -2.676 1.00 0.00 S ATOM 0 H CYS A 34 6.316 0.382 -1.870 1.00 0.00 H new ATOM 0 HA CYS A 34 6.738 2.841 -3.170 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.902 1.583 -3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.630 1.906 -2.188 1.00 0.00 H new ATOM 496 N SER A 35 6.810 0.286 -5.271 1.00 0.00 N ATOM 497 CA SER A 35 6.560 -0.099 -6.655 1.00 0.00 C ATOM 498 C SER A 35 5.548 -1.239 -6.728 1.00 0.00 C ATOM 499 O SER A 35 5.123 -1.773 -5.703 1.00 0.00 O ATOM 500 CB SER A 35 7.865 -0.516 -7.335 1.00 0.00 C ATOM 501 OG SER A 35 8.670 0.612 -7.630 1.00 0.00 O ATOM 0 H SER A 35 7.223 -0.449 -4.697 1.00 0.00 H new ATOM 0 HA SER A 35 6.147 0.764 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.414 -1.199 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.643 -1.058 -8.254 1.00 0.00 H new ATOM 0 HG SER A 35 9.499 0.318 -8.063 1.00 0.00 H new ATOM 507 N VAL A 36 5.166 -1.606 -7.947 1.00 0.00 N ATOM 508 CA VAL A 36 4.205 -2.682 -8.155 1.00 0.00 C ATOM 509 C VAL A 36 4.632 -3.949 -7.422 1.00 0.00 C ATOM 510 O VAL A 36 3.857 -4.531 -6.663 1.00 0.00 O ATOM 511 CB VAL A 36 4.035 -3.001 -9.653 1.00 0.00 C ATOM 512 CG1 VAL A 36 3.031 -4.126 -9.848 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.610 -1.757 -10.417 1.00 0.00 C ATOM 0 H VAL A 36 5.508 -1.174 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 36 3.252 -2.337 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 36 4.996 -3.331 -10.048 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.924 -4.338 -10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.382 -5.020 -9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.066 -3.828 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.495 -2.000 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.661 -1.394 -10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.369 -0.983 -10.304 1.00 0.00 H new ATOM 523 N VAL A 37 5.871 -4.372 -7.655 1.00 0.00 N ATOM 524 CA VAL A 37 6.403 -5.569 -7.015 1.00 0.00 C ATOM 525 C VAL A 37 5.822 -5.750 -5.617 1.00 0.00 C ATOM 526 O VAL A 37 5.074 -6.693 -5.360 1.00 0.00 O ATOM 527 CB VAL A 37 7.939 -5.519 -6.919 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.471 -6.757 -6.213 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.555 -5.379 -8.303 1.00 0.00 C ATOM 0 H VAL A 37 6.525 -3.903 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 37 6.113 -6.416 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 37 8.220 -4.646 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.558 -6.704 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.056 -6.809 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.181 -7.647 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.641 -5.345 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.266 -6.232 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.199 -4.460 -8.768 1.00 0.00 H new ATOM 539 N CYS A 38 6.172 -4.838 -4.715 1.00 0.00 N ATOM 540 CA CYS A 38 5.686 -4.895 -3.342 1.00 0.00 C ATOM 541 C CYS A 38 4.166 -5.024 -3.307 1.00 0.00 C ATOM 542 O CYS A 38 3.611 -5.730 -2.465 1.00 0.00 O ATOM 543 CB CYS A 38 6.121 -3.646 -2.573 1.00 0.00 C ATOM 544 SG CYS A 38 7.753 -3.792 -1.778 1.00 0.00 S ATOM 0 H CYS A 38 6.790 -4.051 -4.911 1.00 0.00 H new ATOM 0 HA CYS A 38 6.118 -5.775 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.137 -2.798 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.375 -3.425 -1.809 1.00 0.00 H new ATOM 549 N PHE A 39 3.499 -4.337 -4.228 1.00 0.00 N ATOM 550 CA PHE A 39 2.043 -4.373 -4.303 1.00 0.00 C ATOM 551 C PHE A 39 1.554 -5.761 -4.708 1.00 0.00 C ATOM 552 O PHE A 39 0.529 -6.236 -4.218 1.00 0.00 O ATOM 553 CB PHE A 39 1.536 -3.330 -5.302 1.00 0.00 C ATOM 554 CG PHE A 39 0.049 -3.373 -5.511 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.818 -3.256 -4.437 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.481 -3.531 -6.781 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.187 -3.295 -4.626 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.848 -3.570 -6.976 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.702 -3.453 -5.897 1.00 0.00 C ATOM 0 H PHE A 39 3.943 -3.749 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 39 1.647 -4.141 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.817 -2.337 -4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.034 -3.483 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.420 -3.133 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.182 -3.625 -7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.853 -3.202 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.249 -3.692 -7.972 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.771 -3.485 -6.047 1.00 0.00 H new ATOM 569 N ARG A 40 2.294 -6.404 -5.605 1.00 0.00 N ATOM 570 CA ARG A 40 1.935 -7.736 -6.077 1.00 0.00 C ATOM 571 C ARG A 40 1.681 -8.679 -4.904 1.00 0.00 C ATOM 572 O ARG A 40 0.554 -9.122 -4.682 1.00 0.00 O ATOM 573 CB ARG A 40 3.043 -8.300 -6.968 1.00 0.00 C ATOM 574 CG ARG A 40 3.362 -7.426 -8.170 1.00 0.00 C ATOM 575 CD ARG A 40 4.425 -8.060 -9.053 1.00 0.00 C ATOM 576 NE ARG A 40 4.801 -7.193 -10.166 1.00 0.00 N ATOM 577 CZ ARG A 40 4.192 -7.206 -11.347 1.00 0.00 C ATOM 578 NH1 ARG A 40 3.183 -8.037 -11.567 1.00 0.00 N ATOM 579 NH2 ARG A 40 4.592 -6.386 -12.310 1.00 0.00 N ATOM 0 H ARG A 40 3.145 -6.025 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 40 1.017 -7.653 -6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.947 -8.428 -6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.749 -9.290 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.455 -7.261 -8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.705 -6.449 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.308 -8.284 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.055 -9.009 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 40 5.574 -6.541 -10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.872 -8.669 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.717 -8.045 -12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.368 -5.745 -12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.124 -6.397 -13.216 1.00 0.00 H new ATOM 593 N LYS A 41 2.737 -8.982 -4.157 1.00 0.00 N ATOM 594 CA LYS A 41 2.630 -9.871 -3.006 1.00 0.00 C ATOM 595 C LYS A 41 1.431 -9.499 -2.140 1.00 0.00 C ATOM 596 O LYS A 41 0.728 -10.370 -1.629 1.00 0.00 O ATOM 597 CB LYS A 41 3.912 -9.815 -2.172 1.00 0.00 C ATOM 598 CG LYS A 41 5.147 -10.283 -2.922 1.00 0.00 C ATOM 599 CD LYS A 41 6.416 -10.013 -2.131 1.00 0.00 C ATOM 600 CE LYS A 41 7.628 -10.663 -2.782 1.00 0.00 C ATOM 601 NZ LYS A 41 7.924 -10.071 -4.116 1.00 0.00 N ATOM 0 H LYS A 41 3.677 -8.625 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 41 2.488 -10.887 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.070 -8.791 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.783 -10.430 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.066 -11.350 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.203 -9.776 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.576 -8.938 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.300 -10.392 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.495 -10.547 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.452 -11.733 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.776 -10.517 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.119 -10.234 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.084 -9.048 -4.014 1.00 0.00 H new ATOM 615 N HIS A 42 1.203 -8.199 -1.981 1.00 0.00 N ATOM 616 CA HIS A 42 0.087 -7.712 -1.178 1.00 0.00 C ATOM 617 C HIS A 42 -1.247 -8.121 -1.796 1.00 0.00 C ATOM 618 O HIS A 42 -2.011 -8.881 -1.201 1.00 0.00 O ATOM 619 CB HIS A 42 0.154 -6.190 -1.043 1.00 0.00 C ATOM 620 CG HIS A 42 -1.183 -5.548 -0.837 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.857 -5.582 0.366 1.00 0.00 N ATOM 622 CD2 HIS A 42 -1.971 -4.850 -1.688 1.00 0.00 C ATOM 623 CE1 HIS A 42 -3.002 -4.935 0.245 1.00 0.00 C ATOM 624 NE2 HIS A 42 -3.096 -4.480 -0.992 1.00 0.00 N ATOM 0 H HIS A 42 1.776 -7.465 -2.397 1.00 0.00 H new ATOM 0 HA HIS A 42 0.161 -8.161 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.803 -5.936 -0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.614 -5.774 -1.939 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.523 -6.036 1.216 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.755 -4.626 -2.722 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.737 -4.801 1.025 1.00 0.00 H new ATOM 632 N LYS A 43 -1.520 -7.613 -2.993 1.00 0.00 N ATOM 633 CA LYS A 43 -2.760 -7.925 -3.693 1.00 0.00 C ATOM 634 C LYS A 43 -3.170 -9.375 -3.452 1.00 0.00 C ATOM 635 O LYS A 43 -4.357 -9.685 -3.360 1.00 0.00 O ATOM 636 CB LYS A 43 -2.600 -7.672 -5.193 1.00 0.00 C ATOM 637 CG LYS A 43 -3.873 -7.908 -5.989 1.00 0.00 C ATOM 638 CD LYS A 43 -4.883 -6.795 -5.767 1.00 0.00 C ATOM 639 CE LYS A 43 -6.113 -6.976 -6.643 1.00 0.00 C ATOM 640 NZ LYS A 43 -7.209 -6.043 -6.261 1.00 0.00 N ATOM 0 H LYS A 43 -0.898 -6.983 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.543 -7.274 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.271 -6.644 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.814 -8.320 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.633 -7.976 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.313 -8.863 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.181 -6.776 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.419 -5.833 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.843 -6.811 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.467 -8.004 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.029 -6.198 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.484 -6.217 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.880 -5.061 -6.361 1.00 0.00 H new ATOM 654 N GLU A 44 -2.180 -10.256 -3.349 1.00 0.00 N ATOM 655 CA GLU A 44 -2.440 -11.672 -3.118 1.00 0.00 C ATOM 656 C GLU A 44 -3.512 -11.861 -2.049 1.00 0.00 C ATOM 657 O GLU A 44 -4.453 -12.634 -2.229 1.00 0.00 O ATOM 658 CB GLU A 44 -1.154 -12.388 -2.699 1.00 0.00 C ATOM 659 CG GLU A 44 -0.049 -12.313 -3.739 1.00 0.00 C ATOM 660 CD GLU A 44 -0.407 -13.036 -5.023 1.00 0.00 C ATOM 661 OE1 GLU A 44 -0.462 -14.283 -5.007 1.00 0.00 O ATOM 662 OE2 GLU A 44 -0.632 -12.354 -6.045 1.00 0.00 O ATOM 0 H GLU A 44 -1.192 -10.014 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.801 -12.106 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.794 -11.954 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.380 -13.435 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.164 -11.268 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.863 -12.743 -3.326 1.00 0.00 H new ATOM 669 N GLN A 45 -3.361 -11.151 -0.936 1.00 0.00 N ATOM 670 CA GLN A 45 -4.315 -11.241 0.163 1.00 0.00 C ATOM 671 C GLN A 45 -4.877 -9.867 0.511 1.00 0.00 C ATOM 672 O GLN A 45 -5.429 -9.666 1.593 1.00 0.00 O ATOM 673 CB GLN A 45 -3.650 -11.861 1.394 1.00 0.00 C ATOM 674 CG GLN A 45 -2.933 -13.169 1.104 1.00 0.00 C ATOM 675 CD GLN A 45 -3.821 -14.380 1.309 1.00 0.00 C ATOM 676 OE1 GLN A 45 -4.539 -14.476 2.305 1.00 0.00 O ATOM 677 NE2 GLN A 45 -3.778 -15.312 0.365 1.00 0.00 N ATOM 0 H GLN A 45 -2.587 -10.507 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.139 -11.879 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.936 -11.149 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.408 -12.033 2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.570 -13.160 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.059 -13.251 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.168 -15.191 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.355 -16.149 0.448 1.00 0.00 H new ATOM 686 N CYS A 46 -4.732 -8.923 -0.413 1.00 0.00 N ATOM 687 CA CYS A 46 -5.223 -7.566 -0.204 1.00 0.00 C ATOM 688 C CYS A 46 -6.660 -7.581 0.309 1.00 0.00 C ATOM 689 O CYS A 46 -7.583 -7.958 -0.411 1.00 0.00 O ATOM 690 CB CYS A 46 -5.144 -6.767 -1.506 1.00 0.00 C ATOM 691 SG CYS A 46 -6.253 -5.323 -1.561 1.00 0.00 S ATOM 0 H CYS A 46 -4.278 -9.073 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.592 -7.089 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.118 -6.429 -1.651 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.383 -7.427 -2.340 1.00 0.00 H new ATOM 696 N ASN A 47 -6.840 -7.168 1.560 1.00 0.00 N ATOM 697 CA ASN A 47 -8.164 -7.134 2.171 1.00 0.00 C ATOM 698 C ASN A 47 -8.585 -5.700 2.478 1.00 0.00 C ATOM 699 O ASN A 47 -8.165 -5.103 3.469 1.00 0.00 O ATOM 700 CB ASN A 47 -8.178 -7.968 3.453 1.00 0.00 C ATOM 701 CG ASN A 47 -9.540 -8.575 3.733 1.00 0.00 C ATOM 702 OD1 ASN A 47 -10.104 -8.391 4.812 1.00 0.00 O ATOM 703 ND2 ASN A 47 -10.074 -9.303 2.760 1.00 0.00 N ATOM 0 H ASN A 47 -6.086 -6.852 2.170 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.875 -7.558 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.438 -8.764 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.883 -7.341 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.988 -9.737 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.570 -9.429 1.882 1.00 0.00 H new ATOM 710 N PRO A 48 -9.435 -5.134 1.608 1.00 0.00 N ATOM 711 CA PRO A 48 -9.932 -3.764 1.766 1.00 0.00 C ATOM 712 C PRO A 48 -10.891 -3.627 2.943 1.00 0.00 C ATOM 713 O PRO A 48 -11.133 -4.588 3.673 1.00 0.00 O ATOM 714 CB PRO A 48 -10.662 -3.498 0.447 1.00 0.00 C ATOM 715 CG PRO A 48 -11.060 -4.847 -0.045 1.00 0.00 C ATOM 716 CD PRO A 48 -9.976 -5.787 0.405 1.00 0.00 C ATOM 0 HA PRO A 48 -9.127 -3.059 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.532 -2.859 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.015 -2.991 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.027 -5.142 0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.157 -4.854 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.371 -6.778 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.211 -5.915 -0.361 1.00 0.00 H new ATOM 724 N GLU A 49 -11.435 -2.427 3.121 1.00 0.00 N ATOM 725 CA GLU A 49 -12.368 -2.167 4.211 1.00 0.00 C ATOM 726 C GLU A 49 -13.812 -2.269 3.727 1.00 0.00 C ATOM 727 O GLU A 49 -14.587 -3.092 4.218 1.00 0.00 O ATOM 728 CB GLU A 49 -12.116 -0.780 4.807 1.00 0.00 C ATOM 729 CG GLU A 49 -13.299 -0.228 5.584 1.00 0.00 C ATOM 730 CD GLU A 49 -12.878 0.717 6.694 1.00 0.00 C ATOM 731 OE1 GLU A 49 -11.890 0.408 7.392 1.00 0.00 O ATOM 732 OE2 GLU A 49 -13.537 1.764 6.864 1.00 0.00 O ATOM 0 H GLU A 49 -11.246 -1.621 2.525 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.207 -2.921 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.250 -0.829 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.865 -0.088 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.966 0.296 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.866 -1.055 6.011 1.00 0.00 H new ATOM 739 N THR A 50 -14.168 -1.428 2.762 1.00 0.00 N ATOM 740 CA THR A 50 -15.518 -1.422 2.212 1.00 0.00 C ATOM 741 C THR A 50 -15.793 -2.692 1.416 1.00 0.00 C ATOM 742 O THR A 50 -14.884 -3.275 0.825 1.00 0.00 O ATOM 743 CB THR A 50 -15.749 -0.200 1.304 1.00 0.00 C ATOM 744 OG1 THR A 50 -14.862 -0.249 0.180 1.00 0.00 O ATOM 745 CG2 THR A 50 -15.531 1.095 2.072 1.00 0.00 C ATOM 0 H THR A 50 -13.540 -0.741 2.345 1.00 0.00 H new ATOM 0 HA THR A 50 -16.204 -1.371 3.058 1.00 0.00 H new ATOM 0 HB THR A 50 -16.781 -0.227 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.017 0.531 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.700 1.944 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.228 1.143 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.509 1.127 2.449 1.00 0.00 H new ATOM 753 N SER A 51 -17.053 -3.116 1.404 1.00 0.00 N ATOM 754 CA SER A 51 -17.447 -4.320 0.682 1.00 0.00 C ATOM 755 C SER A 51 -18.938 -4.297 0.360 1.00 0.00 C ATOM 756 O SER A 51 -19.779 -4.308 1.258 1.00 0.00 O ATOM 757 CB SER A 51 -17.111 -5.566 1.504 1.00 0.00 C ATOM 758 OG SER A 51 -15.714 -5.799 1.528 1.00 0.00 O ATOM 0 H SER A 51 -17.818 -2.644 1.886 1.00 0.00 H new ATOM 0 HA SER A 51 -16.891 -4.350 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.480 -5.444 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.620 -6.432 1.082 1.00 0.00 H new ATOM 0 HG SER A 51 -15.246 -5.016 1.169 1.00 0.00 H new ATOM 764 N GLY A 52 -19.258 -4.263 -0.930 1.00 0.00 N ATOM 765 CA GLY A 52 -20.647 -4.238 -1.350 1.00 0.00 C ATOM 766 C GLY A 52 -21.002 -2.974 -2.107 1.00 0.00 C ATOM 767 O GLY A 52 -20.298 -1.965 -2.038 1.00 0.00 O ATOM 0 H GLY A 52 -18.580 -4.252 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -20.848 -5.104 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.290 -4.326 -0.474 1.00 0.00 H new ATOM 771 N PRO A 53 -22.117 -3.018 -2.851 1.00 0.00 N ATOM 772 CA PRO A 53 -22.588 -1.875 -3.639 1.00 0.00 C ATOM 773 C PRO A 53 -23.101 -0.738 -2.763 1.00 0.00 C ATOM 774 O PRO A 53 -23.746 0.191 -3.249 1.00 0.00 O ATOM 775 CB PRO A 53 -23.729 -2.465 -4.472 1.00 0.00 C ATOM 776 CG PRO A 53 -24.213 -3.630 -3.679 1.00 0.00 C ATOM 777 CD PRO A 53 -23.004 -4.186 -2.980 1.00 0.00 C ATOM 0 HA PRO A 53 -21.789 -1.435 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -24.523 -1.735 -4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.381 -2.774 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -24.973 -3.324 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.669 -4.380 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.260 -4.606 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -22.537 -4.983 -3.558 1.00 0.00 H new ATOM 785 N SER A 54 -22.809 -0.816 -1.468 1.00 0.00 N ATOM 786 CA SER A 54 -23.243 0.205 -0.523 1.00 0.00 C ATOM 787 C SER A 54 -23.311 1.573 -1.195 1.00 0.00 C ATOM 788 O SER A 54 -22.320 2.057 -1.743 1.00 0.00 O ATOM 789 CB SER A 54 -22.294 0.259 0.675 1.00 0.00 C ATOM 790 OG SER A 54 -21.100 0.950 0.350 1.00 0.00 O ATOM 0 H SER A 54 -22.273 -1.577 -1.050 1.00 0.00 H new ATOM 0 HA SER A 54 -24.241 -0.059 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 54 -22.788 0.753 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 54 -22.055 -0.754 0.999 1.00 0.00 H new ATOM 0 HG SER A 54 -21.180 1.338 -0.546 1.00 0.00 H new ATOM 796 N SER A 55 -24.486 2.192 -1.147 1.00 0.00 N ATOM 797 CA SER A 55 -24.685 3.503 -1.754 1.00 0.00 C ATOM 798 C SER A 55 -24.339 4.616 -0.769 1.00 0.00 C ATOM 799 O SER A 55 -23.573 5.525 -1.086 1.00 0.00 O ATOM 800 CB SER A 55 -26.132 3.656 -2.225 1.00 0.00 C ATOM 801 OG SER A 55 -26.328 3.033 -3.483 1.00 0.00 O ATOM 0 H SER A 55 -25.315 1.807 -0.694 1.00 0.00 H new ATOM 0 HA SER A 55 -24.020 3.582 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 55 -26.806 3.217 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 55 -26.384 4.714 -2.296 1.00 0.00 H new ATOM 0 HG SER A 55 -27.261 3.144 -3.761 1.00 0.00 H new ATOM 807 N GLY A 56 -24.909 4.536 0.429 1.00 0.00 N ATOM 808 CA GLY A 56 -24.650 5.541 1.443 1.00 0.00 C ATOM 809 C GLY A 56 -25.650 5.489 2.581 1.00 0.00 C ATOM 810 O GLY A 56 -25.638 4.525 3.345 1.00 0.00 O ATOM 0 H GLY A 56 -25.546 3.793 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.645 5.401 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -24.677 6.530 0.985 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 7.981 -1.547 -0.918 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.977 -3.518 -1.009 1.00 0.00 ZN