USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 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 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 23:sc= 0.00899 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+ 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= 0.0155 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.404 K(o=-0.4,f=-0.92) 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 31:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.953 33.281 26.576 1.00 0.00 N ATOM 2 CA GLY A 1 12.367 32.310 27.481 1.00 0.00 C ATOM 3 C GLY A 1 11.182 31.589 26.870 1.00 0.00 C ATOM 4 O GLY A 1 10.135 31.454 27.503 1.00 0.00 O ATOM 0 H1 GLY A 1 13.759 33.746 27.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.281 32.799 25.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.240 33.995 26.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.125 31.580 27.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.050 32.814 28.394 1.00 0.00 H new ATOM 8 N SER A 2 11.345 31.126 25.635 1.00 0.00 N ATOM 9 CA SER A 2 10.278 30.420 24.936 1.00 0.00 C ATOM 10 C SER A 2 10.659 28.963 24.692 1.00 0.00 C ATOM 11 O SER A 2 11.433 28.656 23.786 1.00 0.00 O ATOM 12 CB SER A 2 9.969 31.108 23.605 1.00 0.00 C ATOM 13 OG SER A 2 9.057 32.178 23.783 1.00 0.00 O ATOM 0 H SER A 2 12.206 31.227 25.098 1.00 0.00 H new ATOM 0 HA SER A 2 9.388 30.444 25.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.892 31.483 23.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.552 30.383 22.906 1.00 0.00 H new ATOM 0 HG SER A 2 8.877 32.602 22.918 1.00 0.00 H new ATOM 19 N SER A 3 10.109 28.069 25.508 1.00 0.00 N ATOM 20 CA SER A 3 10.393 26.645 25.385 1.00 0.00 C ATOM 21 C SER A 3 9.787 26.079 24.104 1.00 0.00 C ATOM 22 O SER A 3 8.603 26.266 23.829 1.00 0.00 O ATOM 23 CB SER A 3 9.849 25.888 26.598 1.00 0.00 C ATOM 24 OG SER A 3 9.935 24.486 26.405 1.00 0.00 O ATOM 0 H SER A 3 9.464 28.307 26.262 1.00 0.00 H new ATOM 0 HA SER A 3 11.475 26.518 25.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.410 26.171 27.489 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.811 26.171 26.772 1.00 0.00 H new ATOM 0 HG SER A 3 9.583 24.025 27.195 1.00 0.00 H new ATOM 30 N GLY A 4 10.610 25.385 23.324 1.00 0.00 N ATOM 31 CA GLY A 4 10.139 24.802 22.081 1.00 0.00 C ATOM 32 C GLY A 4 11.258 24.586 21.081 1.00 0.00 C ATOM 33 O GLY A 4 12.302 24.029 21.418 1.00 0.00 O ATOM 0 H GLY A 4 11.594 25.216 23.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.655 23.848 22.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.384 25.453 21.641 1.00 0.00 H new ATOM 37 N SER A 5 11.038 25.028 19.846 1.00 0.00 N ATOM 38 CA SER A 5 12.034 24.875 18.792 1.00 0.00 C ATOM 39 C SER A 5 12.297 23.401 18.502 1.00 0.00 C ATOM 40 O SER A 5 13.443 22.984 18.336 1.00 0.00 O ATOM 41 CB SER A 5 13.338 25.569 19.189 1.00 0.00 C ATOM 42 OG SER A 5 13.138 26.958 19.383 1.00 0.00 O ATOM 0 H SER A 5 10.180 25.494 19.552 1.00 0.00 H new ATOM 0 HA SER A 5 11.643 25.341 17.887 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.727 25.123 20.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.088 25.411 18.414 1.00 0.00 H new ATOM 0 HG SER A 5 13.986 27.378 19.638 1.00 0.00 H new ATOM 48 N SER A 6 11.226 22.615 18.443 1.00 0.00 N ATOM 49 CA SER A 6 11.340 21.186 18.177 1.00 0.00 C ATOM 50 C SER A 6 11.100 20.888 16.700 1.00 0.00 C ATOM 51 O SER A 6 9.988 21.039 16.197 1.00 0.00 O ATOM 52 CB SER A 6 10.342 20.405 19.035 1.00 0.00 C ATOM 53 OG SER A 6 10.675 20.492 20.410 1.00 0.00 O ATOM 0 H SER A 6 10.270 22.944 18.576 1.00 0.00 H new ATOM 0 HA SER A 6 12.352 20.873 18.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.337 20.795 18.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.331 19.360 18.726 1.00 0.00 H new ATOM 0 HG SER A 6 10.022 19.987 20.937 1.00 0.00 H new ATOM 59 N GLY A 7 12.154 20.461 16.011 1.00 0.00 N ATOM 60 CA GLY A 7 12.039 20.148 14.598 1.00 0.00 C ATOM 61 C GLY A 7 12.884 18.955 14.198 1.00 0.00 C ATOM 62 O GLY A 7 14.109 18.985 14.317 1.00 0.00 O ATOM 0 H GLY A 7 13.085 20.326 16.406 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.995 19.947 14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.340 21.016 14.011 1.00 0.00 H new ATOM 66 N LEU A 8 12.229 17.901 13.725 1.00 0.00 N ATOM 67 CA LEU A 8 12.928 16.690 13.307 1.00 0.00 C ATOM 68 C LEU A 8 12.243 16.054 12.102 1.00 0.00 C ATOM 69 O LEU A 8 11.064 16.298 11.844 1.00 0.00 O ATOM 70 CB LEU A 8 12.988 15.688 14.462 1.00 0.00 C ATOM 71 CG LEU A 8 14.167 15.842 15.423 1.00 0.00 C ATOM 72 CD1 LEU A 8 13.792 15.348 16.812 1.00 0.00 C ATOM 73 CD2 LEU A 8 15.384 15.093 14.899 1.00 0.00 C ATOM 0 H LEU A 8 11.215 17.860 13.621 1.00 0.00 H new ATOM 0 HA LEU A 8 13.943 16.966 13.020 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.065 15.769 15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.016 14.682 14.043 1.00 0.00 H new ATOM 0 HG LEU A 8 14.419 16.900 15.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.644 15.465 17.482 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.950 15.928 17.190 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.513 14.296 16.761 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.213 15.214 15.596 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.145 14.034 14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.667 15.494 13.926 1.00 0.00 H new ATOM 85 N LYS A 9 12.989 15.235 11.368 1.00 0.00 N ATOM 86 CA LYS A 9 12.453 14.560 10.192 1.00 0.00 C ATOM 87 C LYS A 9 11.642 13.332 10.592 1.00 0.00 C ATOM 88 O LYS A 9 12.077 12.532 11.421 1.00 0.00 O ATOM 89 CB LYS A 9 13.590 14.150 9.253 1.00 0.00 C ATOM 90 CG LYS A 9 14.422 15.320 8.758 1.00 0.00 C ATOM 91 CD LYS A 9 15.604 14.851 7.925 1.00 0.00 C ATOM 92 CE LYS A 9 16.784 14.461 8.803 1.00 0.00 C ATOM 93 NZ LYS A 9 17.961 14.039 7.994 1.00 0.00 N ATOM 0 H LYS A 9 13.967 15.023 11.567 1.00 0.00 H new ATOM 0 HA LYS A 9 11.793 15.255 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.241 13.445 9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.170 13.625 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.797 15.986 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.782 15.898 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.305 13.998 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.905 15.643 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.061 15.305 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.490 13.649 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.744 13.781 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.704 13.218 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.258 14.823 7.378 1.00 0.00 H new ATOM 107 N CYS A 10 10.463 13.188 9.996 1.00 0.00 N ATOM 108 CA CYS A 10 9.591 12.056 10.290 1.00 0.00 C ATOM 109 C CYS A 10 8.540 11.882 9.199 1.00 0.00 C ATOM 110 O CYS A 10 8.094 12.855 8.592 1.00 0.00 O ATOM 111 CB CYS A 10 8.910 12.248 11.646 1.00 0.00 C ATOM 112 SG CYS A 10 7.823 13.691 11.727 1.00 0.00 S ATOM 0 H CYS A 10 10.089 13.841 9.307 1.00 0.00 H new ATOM 0 HA CYS A 10 10.205 11.156 10.325 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.329 11.355 11.879 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.676 12.340 12.416 1.00 0.00 H new ATOM 0 HG CYS A 10 7.441 14.014 10.527 1.00 0.00 H new ATOM 118 N SER A 11 8.149 10.635 8.955 1.00 0.00 N ATOM 119 CA SER A 11 7.153 10.333 7.933 1.00 0.00 C ATOM 120 C SER A 11 5.869 9.805 8.565 1.00 0.00 C ATOM 121 O SER A 11 5.780 9.651 9.783 1.00 0.00 O ATOM 122 CB SER A 11 7.706 9.308 6.940 1.00 0.00 C ATOM 123 OG SER A 11 8.036 8.094 7.592 1.00 0.00 O ATOM 0 H SER A 11 8.506 9.818 9.451 1.00 0.00 H new ATOM 0 HA SER A 11 6.922 11.256 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.968 9.117 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.591 9.713 6.449 1.00 0.00 H new ATOM 0 HG SER A 11 8.385 7.455 6.936 1.00 0.00 H new ATOM 129 N THR A 12 4.875 9.528 7.727 1.00 0.00 N ATOM 130 CA THR A 12 3.595 9.018 8.201 1.00 0.00 C ATOM 131 C THR A 12 3.579 7.493 8.209 1.00 0.00 C ATOM 132 O THR A 12 2.969 6.873 9.080 1.00 0.00 O ATOM 133 CB THR A 12 2.430 9.527 7.332 1.00 0.00 C ATOM 134 OG1 THR A 12 1.206 8.905 7.738 1.00 0.00 O ATOM 135 CG2 THR A 12 2.687 9.239 5.860 1.00 0.00 C ATOM 0 H THR A 12 4.932 9.649 6.716 1.00 0.00 H new ATOM 0 HA THR A 12 3.467 9.386 9.219 1.00 0.00 H new ATOM 0 HB THR A 12 2.350 10.606 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.471 9.236 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.851 9.607 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.603 9.739 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.791 8.164 5.712 1.00 0.00 H new ATOM 143 N VAL A 13 4.254 6.894 7.234 1.00 0.00 N ATOM 144 CA VAL A 13 4.319 5.441 7.130 1.00 0.00 C ATOM 145 C VAL A 13 5.215 5.013 5.973 1.00 0.00 C ATOM 146 O VAL A 13 5.316 5.707 4.961 1.00 0.00 O ATOM 147 CB VAL A 13 2.919 4.829 6.935 1.00 0.00 C ATOM 148 CG1 VAL A 13 2.212 5.478 5.755 1.00 0.00 C ATOM 149 CG2 VAL A 13 3.018 3.323 6.746 1.00 0.00 C ATOM 0 H VAL A 13 4.764 7.392 6.504 1.00 0.00 H new ATOM 0 HA VAL A 13 4.740 5.075 8.066 1.00 0.00 H new ATOM 0 HB VAL A 13 2.329 5.021 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.225 5.033 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.108 6.548 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.796 5.319 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.020 2.907 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.625 3.106 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.480 2.876 7.626 1.00 0.00 H new ATOM 159 N VAL A 14 5.863 3.863 6.128 1.00 0.00 N ATOM 160 CA VAL A 14 6.750 3.340 5.095 1.00 0.00 C ATOM 161 C VAL A 14 6.231 2.016 4.544 1.00 0.00 C ATOM 162 O VAL A 14 5.540 1.270 5.238 1.00 0.00 O ATOM 163 CB VAL A 14 8.178 3.134 5.634 1.00 0.00 C ATOM 164 CG1 VAL A 14 8.781 4.460 6.071 1.00 0.00 C ATOM 165 CG2 VAL A 14 8.176 2.136 6.782 1.00 0.00 C ATOM 0 H VAL A 14 5.791 3.276 6.959 1.00 0.00 H new ATOM 0 HA VAL A 14 6.774 4.079 4.294 1.00 0.00 H new ATOM 0 HB VAL A 14 8.795 2.729 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.790 4.294 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.819 5.140 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.166 4.898 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.193 2.003 7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.544 2.510 7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.789 1.179 6.432 1.00 0.00 H new ATOM 175 N CYS A 15 6.568 1.731 3.291 1.00 0.00 N ATOM 176 CA CYS A 15 6.137 0.497 2.645 1.00 0.00 C ATOM 177 C CYS A 15 6.055 -0.646 3.653 1.00 0.00 C ATOM 178 O CYS A 15 7.010 -0.914 4.382 1.00 0.00 O ATOM 179 CB CYS A 15 7.098 0.127 1.513 1.00 0.00 C ATOM 180 SG CYS A 15 6.439 -1.116 0.355 1.00 0.00 S ATOM 0 H CYS A 15 7.138 2.338 2.702 1.00 0.00 H new ATOM 0 HA CYS A 15 5.143 0.662 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.351 1.029 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.024 -0.250 1.946 1.00 0.00 H new ATOM 185 N VAL A 16 4.908 -1.316 3.688 1.00 0.00 N ATOM 186 CA VAL A 16 4.702 -2.431 4.604 1.00 0.00 C ATOM 187 C VAL A 16 5.323 -3.712 4.060 1.00 0.00 C ATOM 188 O VAL A 16 4.990 -4.812 4.503 1.00 0.00 O ATOM 189 CB VAL A 16 3.203 -2.671 4.867 1.00 0.00 C ATOM 190 CG1 VAL A 16 2.601 -1.505 5.635 1.00 0.00 C ATOM 191 CG2 VAL A 16 2.463 -2.897 3.557 1.00 0.00 C ATOM 0 H VAL A 16 4.107 -1.106 3.092 1.00 0.00 H new ATOM 0 HA VAL A 16 5.190 -2.165 5.542 1.00 0.00 H new ATOM 0 HB VAL A 16 3.098 -3.568 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.542 -1.693 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.114 -1.395 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.715 -0.589 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.405 -3.065 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.575 -2.020 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.878 -3.769 3.050 1.00 0.00 H new ATOM 201 N ILE A 17 6.228 -3.562 3.099 1.00 0.00 N ATOM 202 CA ILE A 17 6.897 -4.708 2.495 1.00 0.00 C ATOM 203 C ILE A 17 8.413 -4.572 2.591 1.00 0.00 C ATOM 204 O ILE A 17 9.098 -5.468 3.085 1.00 0.00 O ATOM 205 CB ILE A 17 6.501 -4.877 1.017 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.980 -4.810 0.863 1.00 0.00 C ATOM 207 CG2 ILE A 17 7.036 -6.193 0.472 1.00 0.00 C ATOM 208 CD1 ILE A 17 4.256 -5.973 1.505 1.00 0.00 C ATOM 0 H ILE A 17 6.515 -2.659 2.722 1.00 0.00 H new ATOM 0 HA ILE A 17 6.577 -5.589 3.051 1.00 0.00 H new ATOM 0 HB ILE A 17 6.942 -4.062 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.619 -3.880 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.731 -4.779 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.748 -6.298 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.123 -6.205 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.621 -7.021 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.182 -5.860 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.589 -6.905 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.475 -5.993 2.573 1.00 0.00 H new ATOM 220 N CYS A 18 8.931 -3.444 2.117 1.00 0.00 N ATOM 221 CA CYS A 18 10.366 -3.188 2.150 1.00 0.00 C ATOM 222 C CYS A 18 10.698 -2.077 3.142 1.00 0.00 C ATOM 223 O CYS A 18 11.849 -1.918 3.551 1.00 0.00 O ATOM 224 CB CYS A 18 10.870 -2.809 0.756 1.00 0.00 C ATOM 225 SG CYS A 18 10.273 -1.192 0.164 1.00 0.00 S ATOM 0 H CYS A 18 8.378 -2.692 1.705 1.00 0.00 H new ATOM 0 HA CYS A 18 10.865 -4.101 2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.960 -2.801 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.563 -3.579 0.048 1.00 0.00 H new ATOM 230 N LEU A 19 9.683 -1.312 3.526 1.00 0.00 N ATOM 231 CA LEU A 19 9.866 -0.216 4.471 1.00 0.00 C ATOM 232 C LEU A 19 10.628 0.938 3.827 1.00 0.00 C ATOM 233 O LEU A 19 11.653 1.382 4.344 1.00 0.00 O ATOM 234 CB LEU A 19 10.613 -0.706 5.713 1.00 0.00 C ATOM 235 CG LEU A 19 10.115 -2.017 6.321 1.00 0.00 C ATOM 236 CD1 LEU A 19 11.135 -2.570 7.305 1.00 0.00 C ATOM 237 CD2 LEU A 19 8.770 -1.812 7.003 1.00 0.00 C ATOM 0 H LEU A 19 8.725 -1.430 3.198 1.00 0.00 H new ATOM 0 HA LEU A 19 8.880 0.144 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.666 -0.824 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.556 0.070 6.476 1.00 0.00 H new ATOM 0 HG LEU A 19 9.985 -2.742 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.764 -3.503 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.076 -2.755 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.297 -1.848 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.431 -2.756 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.873 -1.071 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.041 -1.462 6.272 1.00 0.00 H new ATOM 249 N GLU A 20 10.120 1.418 2.696 1.00 0.00 N ATOM 250 CA GLU A 20 10.753 2.521 1.983 1.00 0.00 C ATOM 251 C GLU A 20 9.717 3.551 1.542 1.00 0.00 C ATOM 252 O GLU A 20 8.535 3.238 1.401 1.00 0.00 O ATOM 253 CB GLU A 20 11.518 1.998 0.765 1.00 0.00 C ATOM 254 CG GLU A 20 12.597 0.986 1.113 1.00 0.00 C ATOM 255 CD GLU A 20 13.478 0.643 -0.073 1.00 0.00 C ATOM 256 OE1 GLU A 20 14.206 1.538 -0.550 1.00 0.00 O ATOM 257 OE2 GLU A 20 13.440 -0.522 -0.522 1.00 0.00 O ATOM 0 H GLU A 20 9.273 1.061 2.254 1.00 0.00 H new ATOM 0 HA GLU A 20 11.454 3.005 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.812 1.540 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.975 2.840 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.216 1.382 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.129 0.076 1.489 1.00 0.00 H new ATOM 264 N LYS A 21 10.169 4.782 1.328 1.00 0.00 N ATOM 265 CA LYS A 21 9.283 5.859 0.903 1.00 0.00 C ATOM 266 C LYS A 21 8.319 5.377 -0.176 1.00 0.00 C ATOM 267 O LYS A 21 8.677 5.238 -1.346 1.00 0.00 O ATOM 268 CB LYS A 21 10.100 7.042 0.379 1.00 0.00 C ATOM 269 CG LYS A 21 10.801 7.829 1.473 1.00 0.00 C ATOM 270 CD LYS A 21 11.961 8.640 0.921 1.00 0.00 C ATOM 271 CE LYS A 21 11.474 9.790 0.053 1.00 0.00 C ATOM 272 NZ LYS A 21 10.972 10.929 0.871 1.00 0.00 N ATOM 0 H LYS A 21 11.144 5.059 1.442 1.00 0.00 H new ATOM 0 HA LYS A 21 8.702 6.180 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.845 6.674 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.441 7.712 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.087 8.496 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.166 7.144 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.557 9.032 1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.613 7.992 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.288 10.133 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.680 9.437 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.649 11.692 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.179 10.609 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.737 11.283 1.480 1.00 0.00 H new ATOM 286 N PRO A 22 7.065 5.117 0.223 1.00 0.00 N ATOM 287 CA PRO A 22 6.022 4.649 -0.695 1.00 0.00 C ATOM 288 C PRO A 22 5.589 5.729 -1.680 1.00 0.00 C ATOM 289 O PRO A 22 5.149 6.808 -1.281 1.00 0.00 O ATOM 290 CB PRO A 22 4.866 4.281 0.238 1.00 0.00 C ATOM 291 CG PRO A 22 5.078 5.119 1.452 1.00 0.00 C ATOM 292 CD PRO A 22 6.568 5.261 1.602 1.00 0.00 C ATOM 0 HA PRO A 22 6.367 3.821 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.902 4.491 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.878 3.219 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.602 6.093 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.640 4.648 2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.839 6.227 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.980 4.496 2.260 1.00 0.00 H new ATOM 300 N LYS A 23 5.716 5.434 -2.969 1.00 0.00 N ATOM 301 CA LYS A 23 5.336 6.379 -4.012 1.00 0.00 C ATOM 302 C LYS A 23 3.825 6.380 -4.221 1.00 0.00 C ATOM 303 O LYS A 23 3.219 7.431 -4.435 1.00 0.00 O ATOM 304 CB LYS A 23 6.042 6.032 -5.325 1.00 0.00 C ATOM 305 CG LYS A 23 7.548 6.227 -5.275 1.00 0.00 C ATOM 306 CD LYS A 23 8.255 4.983 -4.765 1.00 0.00 C ATOM 307 CE LYS A 23 9.723 4.974 -5.162 1.00 0.00 C ATOM 308 NZ LYS A 23 10.563 5.739 -4.199 1.00 0.00 N ATOM 0 H LYS A 23 6.080 4.547 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 23 5.642 7.375 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.827 4.995 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.630 6.649 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.917 6.474 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.785 7.072 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.170 4.934 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.764 4.095 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.078 3.945 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.832 5.402 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.557 5.709 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.241 6.727 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.479 5.316 -3.253 1.00 0.00 H new ATOM 322 N TYR A 24 3.222 5.199 -4.156 1.00 0.00 N ATOM 323 CA TYR A 24 1.782 5.064 -4.339 1.00 0.00 C ATOM 324 C TYR A 24 1.176 4.176 -3.257 1.00 0.00 C ATOM 325 O TYR A 24 1.892 3.599 -2.438 1.00 0.00 O ATOM 326 CB TYR A 24 1.474 4.486 -5.721 1.00 0.00 C ATOM 327 CG TYR A 24 2.487 4.868 -6.777 1.00 0.00 C ATOM 328 CD1 TYR A 24 3.686 4.177 -6.899 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.245 5.919 -7.651 1.00 0.00 C ATOM 330 CE1 TYR A 24 4.615 4.523 -7.861 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.167 6.271 -8.618 1.00 0.00 C ATOM 332 CZ TYR A 24 4.350 5.570 -8.719 1.00 0.00 C ATOM 333 OH TYR A 24 5.272 5.918 -9.679 1.00 0.00 O ATOM 0 H TYR A 24 3.708 4.320 -3.978 1.00 0.00 H new ATOM 0 HA TYR A 24 1.337 6.056 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.429 3.399 -5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.487 4.826 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.895 3.355 -6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.320 6.471 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.543 3.977 -7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.962 7.091 -9.291 1.00 0.00 H new ATOM 0 HH TYR A 24 4.931 6.674 -10.201 1.00 0.00 H new ATOM 343 N ARG A 25 -0.149 4.070 -3.260 1.00 0.00 N ATOM 344 CA ARG A 25 -0.853 3.252 -2.280 1.00 0.00 C ATOM 345 C ARG A 25 -1.944 2.421 -2.948 1.00 0.00 C ATOM 346 O ARG A 25 -2.346 2.698 -4.078 1.00 0.00 O ATOM 347 CB ARG A 25 -1.464 4.137 -1.192 1.00 0.00 C ATOM 348 CG ARG A 25 -0.508 4.452 -0.053 1.00 0.00 C ATOM 349 CD ARG A 25 -1.107 5.460 0.915 1.00 0.00 C ATOM 350 NE ARG A 25 -0.079 6.182 1.659 1.00 0.00 N ATOM 351 CZ ARG A 25 -0.324 6.882 2.761 1.00 0.00 C ATOM 352 NH1 ARG A 25 -1.556 6.954 3.244 1.00 0.00 N ATOM 353 NH2 ARG A 25 0.665 7.512 3.382 1.00 0.00 N ATOM 0 H ARG A 25 -0.757 4.541 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.132 2.573 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.800 5.071 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.347 3.643 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.262 3.534 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.425 4.845 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.722 6.171 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.765 4.944 1.614 1.00 0.00 H new ATOM 0 HE ARG A 25 0.880 6.147 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.319 6.471 2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.741 7.492 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.615 7.459 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.476 8.049 4.228 1.00 0.00 H new ATOM 367 N CYS A 26 -2.419 1.401 -2.241 1.00 0.00 N ATOM 368 CA CYS A 26 -3.462 0.527 -2.765 1.00 0.00 C ATOM 369 C CYS A 26 -4.808 1.247 -2.798 1.00 0.00 C ATOM 370 O CYS A 26 -5.247 1.842 -1.814 1.00 0.00 O ATOM 371 CB CYS A 26 -3.571 -0.739 -1.914 1.00 0.00 C ATOM 372 SG CYS A 26 -4.901 -1.871 -2.432 1.00 0.00 S ATOM 0 H CYS A 26 -2.098 1.159 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.191 0.250 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.621 -1.271 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.736 -0.453 -0.875 1.00 0.00 H new ATOM 377 N PRO A 27 -5.478 1.193 -3.958 1.00 0.00 N ATOM 378 CA PRO A 27 -6.783 1.834 -4.149 1.00 0.00 C ATOM 379 C PRO A 27 -7.890 1.138 -3.363 1.00 0.00 C ATOM 380 O PRO A 27 -9.070 1.443 -3.534 1.00 0.00 O ATOM 381 CB PRO A 27 -7.029 1.698 -5.654 1.00 0.00 C ATOM 382 CG PRO A 27 -6.228 0.510 -6.062 1.00 0.00 C ATOM 383 CD PRO A 27 -5.015 0.502 -5.174 1.00 0.00 C ATOM 0 HA PRO A 27 -6.787 2.865 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.088 1.555 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.712 2.593 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.804 -0.408 -5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.942 0.574 -7.112 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.682 -0.513 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.175 1.021 -5.636 1.00 0.00 H new ATOM 391 N ALA A 28 -7.501 0.203 -2.503 1.00 0.00 N ATOM 392 CA ALA A 28 -8.461 -0.533 -1.689 1.00 0.00 C ATOM 393 C ALA A 28 -8.208 -0.307 -0.203 1.00 0.00 C ATOM 394 O ALA A 28 -8.920 0.458 0.449 1.00 0.00 O ATOM 395 CB ALA A 28 -8.401 -2.017 -2.017 1.00 0.00 C ATOM 0 H ALA A 28 -6.528 -0.063 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.459 -0.160 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.123 -2.555 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.638 -2.167 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.399 -2.394 -1.814 1.00 0.00 H new ATOM 401 N CYS A 29 -7.191 -0.977 0.329 1.00 0.00 N ATOM 402 CA CYS A 29 -6.845 -0.851 1.739 1.00 0.00 C ATOM 403 C CYS A 29 -6.080 0.445 1.997 1.00 0.00 C ATOM 404 O CYS A 29 -6.065 0.955 3.117 1.00 0.00 O ATOM 405 CB CYS A 29 -6.006 -2.049 2.189 1.00 0.00 C ATOM 406 SG CYS A 29 -4.644 -2.471 1.056 1.00 0.00 S ATOM 0 H CYS A 29 -6.592 -1.613 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.771 -0.828 2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.592 -1.839 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.658 -2.916 2.295 1.00 0.00 H new ATOM 411 N ARG A 30 -5.448 0.970 0.953 1.00 0.00 N ATOM 412 CA ARG A 30 -4.681 2.205 1.067 1.00 0.00 C ATOM 413 C ARG A 30 -3.377 1.967 1.823 1.00 0.00 C ATOM 414 O ARG A 30 -3.094 2.634 2.819 1.00 0.00 O ATOM 415 CB ARG A 30 -5.506 3.280 1.777 1.00 0.00 C ATOM 416 CG ARG A 30 -6.922 3.413 1.241 1.00 0.00 C ATOM 417 CD ARG A 30 -6.948 4.150 -0.089 1.00 0.00 C ATOM 418 NE ARG A 30 -8.179 4.915 -0.267 1.00 0.00 N ATOM 419 CZ ARG A 30 -8.661 5.266 -1.454 1.00 0.00 C ATOM 420 NH1 ARG A 30 -8.019 4.922 -2.562 1.00 0.00 N ATOM 421 NH2 ARG A 30 -9.788 5.962 -1.534 1.00 0.00 N ATOM 0 H ARG A 30 -5.452 0.560 0.019 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.440 2.548 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.550 3.049 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.998 4.239 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.360 2.422 1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.538 3.946 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.092 4.822 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.846 3.432 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.697 5.195 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.153 4.387 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.391 5.193 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.285 6.228 -0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.158 6.231 -2.446 1.00 0.00 H new ATOM 435 N VAL A 31 -2.586 1.012 1.344 1.00 0.00 N ATOM 436 CA VAL A 31 -1.312 0.687 1.974 1.00 0.00 C ATOM 437 C VAL A 31 -0.144 1.263 1.182 1.00 0.00 C ATOM 438 O VAL A 31 -0.176 1.347 -0.046 1.00 0.00 O ATOM 439 CB VAL A 31 -1.126 -0.836 2.109 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.992 -1.384 3.233 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.444 -1.530 0.793 1.00 0.00 C ATOM 0 H VAL A 31 -2.805 0.450 0.522 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.327 1.133 2.968 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.084 -1.036 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.846 -2.461 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.711 -0.910 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.040 -1.174 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.307 -2.605 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.477 -1.323 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.776 -1.159 0.016 1.00 0.00 H new ATOM 451 N PRO A 32 0.914 1.670 1.899 1.00 0.00 N ATOM 452 CA PRO A 32 2.113 2.245 1.283 1.00 0.00 C ATOM 453 C PRO A 32 2.917 1.210 0.503 1.00 0.00 C ATOM 454 O PRO A 32 3.324 0.184 1.049 1.00 0.00 O ATOM 455 CB PRO A 32 2.918 2.753 2.482 1.00 0.00 C ATOM 456 CG PRO A 32 2.468 1.910 3.625 1.00 0.00 C ATOM 457 CD PRO A 32 1.020 1.599 3.366 1.00 0.00 C ATOM 0 HA PRO A 32 1.867 3.020 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.990 2.650 2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.725 3.809 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.058 0.996 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.591 2.438 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.747 0.613 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.361 2.319 3.852 1.00 0.00 H new ATOM 465 N TYR A 33 3.142 1.486 -0.777 1.00 0.00 N ATOM 466 CA TYR A 33 3.895 0.577 -1.634 1.00 0.00 C ATOM 467 C TYR A 33 4.722 1.352 -2.656 1.00 0.00 C ATOM 468 O TYR A 33 4.188 2.151 -3.426 1.00 0.00 O ATOM 469 CB TYR A 33 2.947 -0.385 -2.351 1.00 0.00 C ATOM 470 CG TYR A 33 2.465 0.127 -3.690 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.325 0.197 -4.779 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.150 0.538 -3.867 1.00 0.00 C ATOM 473 CE1 TYR A 33 2.889 0.664 -6.004 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.705 1.005 -5.088 1.00 0.00 C ATOM 475 CZ TYR A 33 1.579 1.067 -6.154 1.00 0.00 C ATOM 476 OH TYR A 33 1.140 1.531 -7.373 1.00 0.00 O ATOM 0 H TYR A 33 2.814 2.331 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 33 4.575 0.003 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.453 -1.339 -2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.085 -0.576 -1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.352 -0.119 -4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.463 0.491 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.571 0.713 -6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.321 1.320 -5.208 1.00 0.00 H new ATOM 0 HH TYR A 33 0.193 1.773 -7.309 1.00 0.00 H new ATOM 486 N CYS A 34 6.028 1.109 -2.657 1.00 0.00 N ATOM 487 CA CYS A 34 6.931 1.782 -3.583 1.00 0.00 C ATOM 488 C CYS A 34 6.566 1.458 -5.029 1.00 0.00 C ATOM 489 O CYS A 34 6.038 2.304 -5.751 1.00 0.00 O ATOM 490 CB CYS A 34 8.378 1.371 -3.306 1.00 0.00 C ATOM 491 SG CYS A 34 8.586 -0.392 -2.900 1.00 0.00 S ATOM 0 H CYS A 34 6.485 0.450 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 34 6.831 2.857 -3.433 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.985 1.605 -4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.763 1.971 -2.481 1.00 0.00 H new ATOM 496 N SER A 35 6.853 0.228 -5.445 1.00 0.00 N ATOM 497 CA SER A 35 6.559 -0.207 -6.805 1.00 0.00 C ATOM 498 C SER A 35 5.545 -1.347 -6.804 1.00 0.00 C ATOM 499 O SER A 35 5.413 -2.075 -5.820 1.00 0.00 O ATOM 500 CB SER A 35 7.842 -0.650 -7.510 1.00 0.00 C ATOM 501 OG SER A 35 7.580 -1.680 -8.447 1.00 0.00 O ATOM 0 H SER A 35 7.289 -0.484 -4.859 1.00 0.00 H new ATOM 0 HA SER A 35 6.129 0.637 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.294 0.202 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.564 -1.000 -6.772 1.00 0.00 H new ATOM 0 HG SER A 35 8.416 -1.944 -8.885 1.00 0.00 H new ATOM 507 N VAL A 36 4.831 -1.496 -7.915 1.00 0.00 N ATOM 508 CA VAL A 36 3.829 -2.548 -8.044 1.00 0.00 C ATOM 509 C VAL A 36 4.330 -3.859 -7.449 1.00 0.00 C ATOM 510 O VAL A 36 3.556 -4.631 -6.882 1.00 0.00 O ATOM 511 CB VAL A 36 3.446 -2.780 -9.518 1.00 0.00 C ATOM 512 CG1 VAL A 36 4.423 -3.739 -10.180 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.021 -3.302 -9.621 1.00 0.00 C ATOM 0 H VAL A 36 4.928 -0.902 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 36 2.948 -2.216 -7.495 1.00 0.00 H new ATOM 0 HB VAL A 36 3.499 -1.827 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.136 -3.890 -11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.429 -3.320 -10.138 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.406 -4.695 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.766 -3.461 -10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.939 -4.245 -9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.335 -2.575 -9.187 1.00 0.00 H new ATOM 523 N VAL A 37 5.629 -4.105 -7.581 1.00 0.00 N ATOM 524 CA VAL A 37 6.234 -5.323 -7.054 1.00 0.00 C ATOM 525 C VAL A 37 5.792 -5.579 -5.618 1.00 0.00 C ATOM 526 O VAL A 37 5.092 -6.552 -5.336 1.00 0.00 O ATOM 527 CB VAL A 37 7.772 -5.251 -7.101 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.384 -6.500 -6.486 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.253 -5.061 -8.532 1.00 0.00 C ATOM 0 H VAL A 37 6.283 -3.477 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 37 5.896 -6.144 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 37 8.096 -4.391 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.471 -6.431 -6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.066 -6.587 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.054 -7.378 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.342 -5.012 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.919 -5.900 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.843 -4.134 -8.934 1.00 0.00 H new ATOM 539 N CYS A 38 6.205 -4.700 -4.711 1.00 0.00 N ATOM 540 CA CYS A 38 5.853 -4.830 -3.303 1.00 0.00 C ATOM 541 C CYS A 38 4.348 -5.022 -3.134 1.00 0.00 C ATOM 542 O CYS A 38 3.897 -5.683 -2.199 1.00 0.00 O ATOM 543 CB CYS A 38 6.310 -3.594 -2.525 1.00 0.00 C ATOM 544 SG CYS A 38 8.001 -3.719 -1.859 1.00 0.00 S ATOM 0 H CYS A 38 6.785 -3.889 -4.927 1.00 0.00 H new ATOM 0 HA CYS A 38 6.361 -5.709 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.252 -2.724 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.618 -3.420 -1.701 1.00 0.00 H new ATOM 549 N PHE A 39 3.577 -4.441 -4.047 1.00 0.00 N ATOM 550 CA PHE A 39 2.124 -4.547 -4.000 1.00 0.00 C ATOM 551 C PHE A 39 1.667 -5.946 -4.403 1.00 0.00 C ATOM 552 O PHE A 39 0.763 -6.516 -3.792 1.00 0.00 O ATOM 553 CB PHE A 39 1.485 -3.505 -4.920 1.00 0.00 C ATOM 554 CG PHE A 39 0.003 -3.686 -5.093 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.875 -3.304 -4.092 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.510 -4.237 -6.255 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.239 -3.468 -4.247 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.873 -4.404 -6.417 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.738 -4.020 -5.411 1.00 0.00 C ATOM 0 H PHE A 39 3.935 -3.892 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 39 1.805 -4.361 -2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.677 -2.510 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.965 -3.552 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.490 -2.873 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.162 -4.540 -7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.913 -3.165 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.261 -4.834 -7.329 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.803 -4.151 -5.534 1.00 0.00 H new ATOM 569 N ARG A 40 2.299 -6.494 -5.436 1.00 0.00 N ATOM 570 CA ARG A 40 1.958 -7.825 -5.922 1.00 0.00 C ATOM 571 C ARG A 40 1.781 -8.799 -4.761 1.00 0.00 C ATOM 572 O ARG A 40 0.719 -9.402 -4.599 1.00 0.00 O ATOM 573 CB ARG A 40 3.043 -8.338 -6.871 1.00 0.00 C ATOM 574 CG ARG A 40 3.153 -7.538 -8.159 1.00 0.00 C ATOM 575 CD ARG A 40 4.078 -8.216 -9.158 1.00 0.00 C ATOM 576 NE ARG A 40 3.538 -9.490 -9.626 1.00 0.00 N ATOM 577 CZ ARG A 40 3.861 -10.042 -10.790 1.00 0.00 C ATOM 578 NH1 ARG A 40 4.718 -9.435 -11.600 1.00 0.00 N ATOM 579 NH2 ARG A 40 3.328 -11.204 -11.146 1.00 0.00 N ATOM 0 H ARG A 40 3.050 -6.036 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 40 1.014 -7.756 -6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.004 -8.316 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.836 -9.380 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.163 -7.419 -8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.526 -6.538 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.238 -7.555 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.051 -8.382 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 40 2.877 -9.983 -9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.131 -8.542 -11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.965 -9.861 -12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.669 -11.674 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.577 -11.627 -12.040 1.00 0.00 H new ATOM 593 N LYS A 41 2.827 -8.949 -3.956 1.00 0.00 N ATOM 594 CA LYS A 41 2.788 -9.849 -2.810 1.00 0.00 C ATOM 595 C LYS A 41 1.567 -9.569 -1.940 1.00 0.00 C ATOM 596 O LYS A 41 0.970 -10.487 -1.376 1.00 0.00 O ATOM 597 CB LYS A 41 4.064 -9.703 -1.978 1.00 0.00 C ATOM 598 CG LYS A 41 5.333 -10.027 -2.747 1.00 0.00 C ATOM 599 CD LYS A 41 6.575 -9.624 -1.970 1.00 0.00 C ATOM 600 CE LYS A 41 6.791 -10.520 -0.761 1.00 0.00 C ATOM 601 NZ LYS A 41 7.829 -9.974 0.156 1.00 0.00 N ATOM 0 H LYS A 41 3.713 -8.458 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 41 2.720 -10.871 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.128 -8.682 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.998 -10.358 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.367 -11.095 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.320 -9.510 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.446 -9.676 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.482 -8.588 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.851 -10.632 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.088 -11.514 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.947 -10.614 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.732 -9.890 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.534 -9.036 0.495 1.00 0.00 H new ATOM 615 N HIS A 42 1.198 -8.296 -1.837 1.00 0.00 N ATOM 616 CA HIS A 42 0.046 -7.896 -1.037 1.00 0.00 C ATOM 617 C HIS A 42 -1.257 -8.237 -1.753 1.00 0.00 C ATOM 618 O HIS A 42 -2.035 -9.070 -1.288 1.00 0.00 O ATOM 619 CB HIS A 42 0.100 -6.398 -0.738 1.00 0.00 C ATOM 620 CG HIS A 42 -1.250 -5.767 -0.588 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.923 -5.708 0.614 1.00 0.00 N ATOM 622 CD2 HIS A 42 -2.052 -5.165 -1.497 1.00 0.00 C ATOM 623 CE1 HIS A 42 -3.081 -5.098 0.437 1.00 0.00 C ATOM 624 NE2 HIS A 42 -3.184 -4.758 -0.835 1.00 0.00 N ATOM 0 H HIS A 42 1.680 -7.524 -2.298 1.00 0.00 H new ATOM 0 HA HIS A 42 0.079 -8.447 -0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.670 -6.239 0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.640 -5.895 -1.540 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.580 -6.078 1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.841 -5.030 -2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.819 -4.909 1.203 1.00 0.00 H new ATOM 632 N LYS A 43 -1.490 -7.587 -2.888 1.00 0.00 N ATOM 633 CA LYS A 43 -2.699 -7.820 -3.671 1.00 0.00 C ATOM 634 C LYS A 43 -3.159 -9.269 -3.542 1.00 0.00 C ATOM 635 O LYS A 43 -4.356 -9.546 -3.488 1.00 0.00 O ATOM 636 CB LYS A 43 -2.451 -7.481 -5.142 1.00 0.00 C ATOM 637 CG LYS A 43 -3.679 -6.943 -5.857 1.00 0.00 C ATOM 638 CD LYS A 43 -4.613 -8.064 -6.282 1.00 0.00 C ATOM 639 CE LYS A 43 -5.877 -7.521 -6.930 1.00 0.00 C ATOM 640 NZ LYS A 43 -6.684 -8.601 -7.563 1.00 0.00 N ATOM 0 H LYS A 43 -0.857 -6.894 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.485 -7.172 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.651 -6.743 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.103 -8.375 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.211 -6.254 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.370 -6.373 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.098 -8.722 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.878 -8.667 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.480 -7.010 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.609 -6.779 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.537 -8.190 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.118 -9.072 -8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.961 -9.296 -6.841 1.00 0.00 H new ATOM 654 N GLU A 44 -2.199 -10.187 -3.492 1.00 0.00 N ATOM 655 CA GLU A 44 -2.508 -11.607 -3.368 1.00 0.00 C ATOM 656 C GLU A 44 -3.664 -11.830 -2.397 1.00 0.00 C ATOM 657 O GLU A 44 -4.630 -12.522 -2.716 1.00 0.00 O ATOM 658 CB GLU A 44 -1.275 -12.381 -2.897 1.00 0.00 C ATOM 659 CG GLU A 44 -0.384 -12.857 -4.033 1.00 0.00 C ATOM 660 CD GLU A 44 -0.931 -14.091 -4.725 1.00 0.00 C ATOM 661 OE1 GLU A 44 -2.136 -14.102 -5.052 1.00 0.00 O ATOM 662 OE2 GLU A 44 -0.154 -15.045 -4.938 1.00 0.00 O ATOM 0 H GLU A 44 -1.203 -9.974 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.805 -11.975 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.691 -11.747 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.599 -13.244 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.272 -12.055 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.611 -13.074 -3.643 1.00 0.00 H new ATOM 669 N GLN A 45 -3.555 -11.240 -1.212 1.00 0.00 N ATOM 670 CA GLN A 45 -4.590 -11.375 -0.194 1.00 0.00 C ATOM 671 C GLN A 45 -5.021 -10.009 0.330 1.00 0.00 C ATOM 672 O GLN A 45 -5.476 -9.883 1.467 1.00 0.00 O ATOM 673 CB GLN A 45 -4.088 -12.242 0.962 1.00 0.00 C ATOM 674 CG GLN A 45 -2.848 -11.688 1.645 1.00 0.00 C ATOM 675 CD GLN A 45 -2.556 -12.369 2.967 1.00 0.00 C ATOM 676 OE1 GLN A 45 -3.004 -11.919 4.023 1.00 0.00 O ATOM 677 NE2 GLN A 45 -1.801 -13.460 2.917 1.00 0.00 N ATOM 0 H GLN A 45 -2.761 -10.664 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.454 -11.857 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.884 -12.345 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.870 -13.242 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.990 -11.806 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.977 -10.619 1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.451 -13.797 2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.571 -13.961 3.775 1.00 0.00 H new ATOM 686 N CYS A 46 -4.874 -8.987 -0.507 1.00 0.00 N ATOM 687 CA CYS A 46 -5.246 -7.629 -0.129 1.00 0.00 C ATOM 688 C CYS A 46 -6.529 -7.627 0.698 1.00 0.00 C ATOM 689 O CYS A 46 -7.564 -8.123 0.257 1.00 0.00 O ATOM 690 CB CYS A 46 -5.430 -6.763 -1.377 1.00 0.00 C ATOM 691 SG CYS A 46 -6.443 -5.273 -1.105 1.00 0.00 S ATOM 0 H CYS A 46 -4.500 -9.074 -1.452 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.442 -7.214 0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.449 -6.461 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.892 -7.365 -2.159 1.00 0.00 H new ATOM 696 N ASN A 47 -6.450 -7.065 1.900 1.00 0.00 N ATOM 697 CA ASN A 47 -7.604 -6.998 2.789 1.00 0.00 C ATOM 698 C ASN A 47 -7.961 -5.550 3.110 1.00 0.00 C ATOM 699 O ASN A 47 -7.326 -4.897 3.938 1.00 0.00 O ATOM 700 CB ASN A 47 -7.322 -7.764 4.083 1.00 0.00 C ATOM 701 CG ASN A 47 -7.064 -9.238 3.838 1.00 0.00 C ATOM 702 OD1 ASN A 47 -5.977 -9.745 4.115 1.00 0.00 O ATOM 703 ND2 ASN A 47 -8.067 -9.935 3.316 1.00 0.00 N ATOM 0 H ASN A 47 -5.600 -6.650 2.280 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.451 -7.458 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.458 -7.325 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.170 -7.654 4.759 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.953 -10.931 3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.951 -9.474 3.102 1.00 0.00 H new ATOM 710 N PRO A 48 -9.002 -5.035 2.440 1.00 0.00 N ATOM 711 CA PRO A 48 -9.468 -3.659 2.637 1.00 0.00 C ATOM 712 C PRO A 48 -10.120 -3.458 4.000 1.00 0.00 C ATOM 713 O PRO A 48 -10.651 -2.386 4.292 1.00 0.00 O ATOM 714 CB PRO A 48 -10.496 -3.469 1.519 1.00 0.00 C ATOM 715 CG PRO A 48 -10.979 -4.844 1.211 1.00 0.00 C ATOM 716 CD PRO A 48 -9.805 -5.756 1.438 1.00 0.00 C ATOM 0 HA PRO A 48 -8.647 -2.942 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.315 -2.824 1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.046 -3.002 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.815 -5.117 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.333 -4.912 0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.120 -6.733 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.244 -5.925 0.519 1.00 0.00 H new ATOM 724 N GLU A 49 -10.077 -4.495 4.831 1.00 0.00 N ATOM 725 CA GLU A 49 -10.664 -4.430 6.164 1.00 0.00 C ATOM 726 C GLU A 49 -9.866 -3.492 7.066 1.00 0.00 C ATOM 727 O GLU A 49 -8.938 -3.916 7.755 1.00 0.00 O ATOM 728 CB GLU A 49 -10.725 -5.826 6.787 1.00 0.00 C ATOM 729 CG GLU A 49 -11.571 -6.810 5.996 1.00 0.00 C ATOM 730 CD GLU A 49 -13.027 -6.800 6.421 1.00 0.00 C ATOM 731 OE1 GLU A 49 -13.367 -7.514 7.387 1.00 0.00 O ATOM 732 OE2 GLU A 49 -13.825 -6.079 5.787 1.00 0.00 O ATOM 0 H GLU A 49 -9.642 -5.389 4.605 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.677 -4.038 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.712 -6.220 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.125 -5.746 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.504 -6.570 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.166 -7.814 6.122 1.00 0.00 H new ATOM 739 N THR A 50 -10.234 -2.215 7.055 1.00 0.00 N ATOM 740 CA THR A 50 -9.553 -1.216 7.869 1.00 0.00 C ATOM 741 C THR A 50 -9.495 -1.645 9.331 1.00 0.00 C ATOM 742 O THR A 50 -10.495 -2.083 9.899 1.00 0.00 O ATOM 743 CB THR A 50 -10.249 0.155 7.775 1.00 0.00 C ATOM 744 OG1 THR A 50 -10.315 0.578 6.409 1.00 0.00 O ATOM 745 CG2 THR A 50 -9.506 1.196 8.599 1.00 0.00 C ATOM 0 H THR A 50 -11.000 -1.848 6.491 1.00 0.00 H new ATOM 0 HA THR A 50 -8.539 -1.128 7.479 1.00 0.00 H new ATOM 0 HB THR A 50 -11.259 0.054 8.172 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.760 1.449 6.358 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.016 2.156 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.483 0.885 9.643 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.486 1.294 8.227 1.00 0.00 H new ATOM 753 N SER A 51 -8.318 -1.516 9.934 1.00 0.00 N ATOM 754 CA SER A 51 -8.129 -1.894 11.330 1.00 0.00 C ATOM 755 C SER A 51 -8.570 -0.768 12.262 1.00 0.00 C ATOM 756 O SER A 51 -8.376 0.410 11.965 1.00 0.00 O ATOM 757 CB SER A 51 -6.663 -2.243 11.592 1.00 0.00 C ATOM 758 OG SER A 51 -5.881 -1.073 11.755 1.00 0.00 O ATOM 0 H SER A 51 -7.481 -1.153 9.478 1.00 0.00 H new ATOM 0 HA SER A 51 -8.745 -2.771 11.530 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.588 -2.862 12.486 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.272 -2.832 10.762 1.00 0.00 H new ATOM 0 HG SER A 51 -4.949 -1.324 11.923 1.00 0.00 H new ATOM 764 N GLY A 52 -9.165 -1.142 13.391 1.00 0.00 N ATOM 765 CA GLY A 52 -9.624 -0.154 14.349 1.00 0.00 C ATOM 766 C GLY A 52 -8.962 -0.308 15.704 1.00 0.00 C ATOM 767 O GLY A 52 -9.535 -0.868 16.639 1.00 0.00 O ATOM 0 H GLY A 52 -9.337 -2.111 13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.422 0.845 13.961 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.705 -0.239 14.464 1.00 0.00 H new ATOM 771 N PRO A 53 -7.725 0.195 15.823 1.00 0.00 N ATOM 772 CA PRO A 53 -6.956 0.121 17.069 1.00 0.00 C ATOM 773 C PRO A 53 -7.532 1.019 18.159 1.00 0.00 C ATOM 774 O PRO A 53 -7.752 0.579 19.287 1.00 0.00 O ATOM 775 CB PRO A 53 -5.564 0.606 16.657 1.00 0.00 C ATOM 776 CG PRO A 53 -5.801 1.472 15.468 1.00 0.00 C ATOM 777 CD PRO A 53 -6.980 0.875 14.750 1.00 0.00 C ATOM 0 HA PRO A 53 -6.964 -0.883 17.494 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.084 1.162 17.462 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.909 -0.231 16.413 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.006 2.500 15.768 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.923 1.498 14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.585 1.641 14.264 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.666 0.177 13.974 1.00 0.00 H new ATOM 785 N SER A 54 -7.773 2.280 17.814 1.00 0.00 N ATOM 786 CA SER A 54 -8.321 3.241 18.764 1.00 0.00 C ATOM 787 C SER A 54 -8.982 4.408 18.037 1.00 0.00 C ATOM 788 O SER A 54 -8.461 4.908 17.041 1.00 0.00 O ATOM 789 CB SER A 54 -7.218 3.761 19.689 1.00 0.00 C ATOM 790 OG SER A 54 -7.706 4.781 20.542 1.00 0.00 O ATOM 0 H SER A 54 -7.597 2.660 16.884 1.00 0.00 H new ATOM 0 HA SER A 54 -9.078 2.733 19.362 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.824 2.940 20.288 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.391 4.146 19.093 1.00 0.00 H new ATOM 0 HG SER A 54 -6.983 5.095 21.124 1.00 0.00 H new ATOM 796 N SER A 55 -10.134 4.836 18.544 1.00 0.00 N ATOM 797 CA SER A 55 -10.870 5.941 17.941 1.00 0.00 C ATOM 798 C SER A 55 -11.604 6.750 19.007 1.00 0.00 C ATOM 799 O SER A 55 -12.292 6.193 19.861 1.00 0.00 O ATOM 800 CB SER A 55 -11.868 5.414 16.909 1.00 0.00 C ATOM 801 OG SER A 55 -12.834 4.573 17.515 1.00 0.00 O ATOM 0 H SER A 55 -10.577 4.435 19.370 1.00 0.00 H new ATOM 0 HA SER A 55 -10.153 6.594 17.443 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.366 6.251 16.420 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.337 4.862 16.134 1.00 0.00 H new ATOM 0 HG SER A 55 -12.989 4.865 18.438 1.00 0.00 H new ATOM 807 N GLY A 56 -11.450 8.070 18.950 1.00 0.00 N ATOM 808 CA GLY A 56 -12.102 8.935 19.914 1.00 0.00 C ATOM 809 C GLY A 56 -11.182 9.333 21.052 1.00 0.00 C ATOM 810 O GLY A 56 -10.793 8.470 21.837 1.00 0.00 O ATOM 0 H GLY A 56 -10.885 8.555 18.253 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.459 9.832 19.409 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.977 8.427 20.319 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 8.246 -1.439 -1.083 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.945 -3.608 -0.783 1.00 0.00 ZN