USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 497 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 Set 1.1: A 50 THR OG1 : rot -61:sc= 1.22 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 92:sc= 0.859 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0225 (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 -93:sc= 0.00211 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -0.0614 (180deg=-0.385) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 98:sc= -0.297 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-5.3!) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00461 USER MOD Single : A 28 SER OG : rot 170:sc= 0.465 USER MOD Single : A 37 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.4!) USER MOD Single : A 39 HIS : no HE2:sc= -7.89! C(o=-7.9!,f=-7.3!) USER MOD Single : A 41 SER OG : rot 0:sc= -1.89 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.0096 K(o=0.0096,f=-1.1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.828 -30.254 20.503 1.00 0.00 N ATOM 2 CA GLY A 1 4.503 -29.569 19.264 1.00 0.00 C ATOM 3 C GLY A 1 3.563 -30.413 18.401 1.00 0.00 C ATOM 4 O GLY A 1 2.684 -31.098 18.921 1.00 0.00 O ATOM 0 H1 GLY A 1 4.755 -29.587 21.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.164 -31.041 20.649 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.798 -30.625 20.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.035 -28.610 19.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.418 -29.357 18.711 1.00 0.00 H new ATOM 8 N SER A 2 3.782 -30.337 17.096 1.00 0.00 N ATOM 9 CA SER A 2 2.965 -31.086 16.156 1.00 0.00 C ATOM 10 C SER A 2 3.610 -31.061 14.768 1.00 0.00 C ATOM 11 O SER A 2 4.524 -30.277 14.518 1.00 0.00 O ATOM 12 CB SER A 2 1.544 -30.524 16.091 1.00 0.00 C ATOM 13 OG SER A 2 0.646 -31.416 15.437 1.00 0.00 O ATOM 0 H SER A 2 4.513 -29.769 16.668 1.00 0.00 H new ATOM 0 HA SER A 2 2.903 -32.117 16.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.186 -30.326 17.101 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.555 -29.570 15.564 1.00 0.00 H new ATOM 0 HG SER A 2 -0.251 -31.021 15.418 1.00 0.00 H new ATOM 19 N SER A 3 3.107 -31.929 13.902 1.00 0.00 N ATOM 20 CA SER A 3 3.622 -32.016 12.546 1.00 0.00 C ATOM 21 C SER A 3 3.082 -30.857 11.706 1.00 0.00 C ATOM 22 O SER A 3 2.155 -30.164 12.121 1.00 0.00 O ATOM 23 CB SER A 3 3.255 -33.355 11.903 1.00 0.00 C ATOM 24 OG SER A 3 4.277 -34.331 12.082 1.00 0.00 O ATOM 0 H SER A 3 2.349 -32.578 14.113 1.00 0.00 H new ATOM 0 HA SER A 3 4.709 -31.950 12.587 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.324 -33.722 12.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.076 -33.209 10.838 1.00 0.00 H new ATOM 0 HG SER A 3 4.004 -35.172 11.659 1.00 0.00 H new ATOM 30 N GLY A 4 3.685 -30.683 10.539 1.00 0.00 N ATOM 31 CA GLY A 4 3.277 -29.620 9.636 1.00 0.00 C ATOM 32 C GLY A 4 3.407 -28.251 10.307 1.00 0.00 C ATOM 33 O GLY A 4 4.506 -27.837 10.672 1.00 0.00 O ATOM 0 H GLY A 4 4.453 -31.261 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.891 -29.647 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.245 -29.779 9.324 1.00 0.00 H new ATOM 37 N SER A 5 2.269 -27.587 10.448 1.00 0.00 N ATOM 38 CA SER A 5 2.242 -26.273 11.068 1.00 0.00 C ATOM 39 C SER A 5 0.829 -25.958 11.564 1.00 0.00 C ATOM 40 O SER A 5 -0.134 -26.047 10.805 1.00 0.00 O ATOM 41 CB SER A 5 2.715 -25.194 10.092 1.00 0.00 C ATOM 42 OG SER A 5 2.585 -23.885 10.640 1.00 0.00 O ATOM 0 H SER A 5 1.359 -27.934 10.144 1.00 0.00 H new ATOM 0 HA SER A 5 2.925 -26.281 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.757 -25.375 9.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.137 -25.260 9.170 1.00 0.00 H new ATOM 0 HG SER A 5 1.724 -23.502 10.371 1.00 0.00 H new ATOM 48 N SER A 6 0.751 -25.596 12.837 1.00 0.00 N ATOM 49 CA SER A 6 -0.528 -25.267 13.443 1.00 0.00 C ATOM 50 C SER A 6 -1.388 -24.477 12.455 1.00 0.00 C ATOM 51 O SER A 6 -2.508 -24.878 12.142 1.00 0.00 O ATOM 52 CB SER A 6 -0.336 -24.470 14.735 1.00 0.00 C ATOM 53 OG SER A 6 0.164 -25.282 15.794 1.00 0.00 O ATOM 0 H SER A 6 1.552 -25.524 13.464 1.00 0.00 H new ATOM 0 HA SER A 6 -1.037 -26.198 13.694 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.354 -23.646 14.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.287 -24.030 15.034 1.00 0.00 H new ATOM 0 HG SER A 6 0.274 -24.736 16.600 1.00 0.00 H new ATOM 59 N GLY A 7 -0.832 -23.367 11.991 1.00 0.00 N ATOM 60 CA GLY A 7 -1.534 -22.517 11.045 1.00 0.00 C ATOM 61 C GLY A 7 -0.577 -21.521 10.387 1.00 0.00 C ATOM 62 O GLY A 7 0.595 -21.447 10.753 1.00 0.00 O ATOM 0 H GLY A 7 0.097 -23.037 12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.007 -23.132 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.330 -21.977 11.557 1.00 0.00 H new ATOM 66 N THR A 8 -1.112 -20.779 9.429 1.00 0.00 N ATOM 67 CA THR A 8 -0.320 -19.791 8.717 1.00 0.00 C ATOM 68 C THR A 8 -0.441 -18.423 9.393 1.00 0.00 C ATOM 69 O THR A 8 -1.487 -18.092 9.948 1.00 0.00 O ATOM 70 CB THR A 8 -0.771 -19.788 7.255 1.00 0.00 C ATOM 71 OG1 THR A 8 0.298 -19.147 6.564 1.00 0.00 O ATOM 72 CG2 THR A 8 -1.973 -18.872 7.014 1.00 0.00 C ATOM 0 H THR A 8 -2.085 -20.842 9.129 1.00 0.00 H new ATOM 0 HA THR A 8 0.741 -20.040 8.744 1.00 0.00 H new ATOM 0 HB THR A 8 -1.023 -20.804 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.090 -19.104 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.252 -18.907 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.813 -19.206 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.712 -17.849 7.286 1.00 0.00 H new ATOM 80 N PRO A 9 0.673 -17.647 9.321 1.00 0.00 N ATOM 81 CA PRO A 9 0.702 -16.323 9.919 1.00 0.00 C ATOM 82 C PRO A 9 -0.092 -15.323 9.076 1.00 0.00 C ATOM 83 O PRO A 9 -0.936 -15.715 8.272 1.00 0.00 O ATOM 84 CB PRO A 9 2.177 -15.971 10.026 1.00 0.00 C ATOM 85 CG PRO A 9 2.897 -16.902 9.065 1.00 0.00 C ATOM 86 CD PRO A 9 1.930 -18.007 8.672 1.00 0.00 C ATOM 0 HA PRO A 9 0.228 -16.294 10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.350 -14.928 9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.538 -16.106 11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.231 -16.356 8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.786 -17.322 9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.814 -18.066 7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.284 -18.981 9.008 1.00 0.00 H new ATOM 94 N PHE A 10 0.207 -14.050 9.289 1.00 0.00 N ATOM 95 CA PHE A 10 -0.468 -12.990 8.558 1.00 0.00 C ATOM 96 C PHE A 10 -0.132 -13.053 7.067 1.00 0.00 C ATOM 97 O PHE A 10 0.592 -13.945 6.627 1.00 0.00 O ATOM 98 CB PHE A 10 0.037 -11.663 9.127 1.00 0.00 C ATOM 99 CG PHE A 10 1.561 -11.539 9.159 1.00 0.00 C ATOM 100 CD1 PHE A 10 2.228 -11.071 8.071 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.249 -11.896 10.277 1.00 0.00 C ATOM 102 CE1 PHE A 10 3.643 -10.956 8.100 1.00 0.00 C ATOM 103 CE2 PHE A 10 3.664 -11.781 10.306 1.00 0.00 C ATOM 104 CZ PHE A 10 4.331 -11.313 9.217 1.00 0.00 C ATOM 0 H PHE A 10 0.907 -13.728 9.957 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.548 -13.094 8.664 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.371 -10.846 8.532 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.348 -11.544 10.140 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.681 -10.786 7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.719 -12.267 11.142 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.173 -10.585 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.211 -12.065 11.193 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.407 -11.225 9.240 1.00 0.00 H new ATOM 114 N ARG A 11 -0.674 -12.094 6.330 1.00 0.00 N ATOM 115 CA ARG A 11 -0.441 -12.028 4.898 1.00 0.00 C ATOM 116 C ARG A 11 0.373 -10.781 4.549 1.00 0.00 C ATOM 117 O ARG A 11 0.650 -9.953 5.416 1.00 0.00 O ATOM 118 CB ARG A 11 -1.761 -12.000 4.125 1.00 0.00 C ATOM 119 CG ARG A 11 -1.929 -13.264 3.279 1.00 0.00 C ATOM 120 CD ARG A 11 -3.405 -13.643 3.147 1.00 0.00 C ATOM 121 NE ARG A 11 -3.688 -14.860 3.940 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.916 -15.358 4.139 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.982 -14.747 3.604 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.078 -16.468 4.873 1.00 0.00 N ATOM 0 H ARG A 11 -1.274 -11.356 6.699 1.00 0.00 H new ATOM 0 HA ARG A 11 0.115 -12.921 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.593 -11.912 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.791 -11.121 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.501 -13.103 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.378 -14.087 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.032 -12.821 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.652 -13.816 2.100 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.899 -15.350 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.859 -13.903 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.917 -15.126 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.267 -16.933 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.013 -16.847 5.025 1.00 0.00 H new ATOM 138 N LYS A 12 0.735 -10.685 3.277 1.00 0.00 N ATOM 139 CA LYS A 12 1.511 -9.553 2.803 1.00 0.00 C ATOM 140 C LYS A 12 0.996 -9.127 1.427 1.00 0.00 C ATOM 141 O LYS A 12 0.515 -9.956 0.656 1.00 0.00 O ATOM 142 CB LYS A 12 3.006 -9.881 2.826 1.00 0.00 C ATOM 143 CG LYS A 12 3.522 -9.986 4.262 1.00 0.00 C ATOM 144 CD LYS A 12 4.820 -10.795 4.320 1.00 0.00 C ATOM 145 CE LYS A 12 4.592 -12.231 3.842 1.00 0.00 C ATOM 146 NZ LYS A 12 5.504 -13.161 4.545 1.00 0.00 N ATOM 0 H LYS A 12 0.504 -11.374 2.561 1.00 0.00 H new ATOM 0 HA LYS A 12 1.385 -8.699 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.184 -10.820 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.560 -9.109 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.693 -8.988 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.767 -10.458 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.579 -10.317 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.202 -10.804 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.557 -12.521 4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.757 -12.293 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.337 -14.131 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.490 -12.893 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.327 -13.113 5.569 1.00 0.00 H new ATOM 160 N ALA A 13 1.114 -7.834 1.160 1.00 0.00 N ATOM 161 CA ALA A 13 0.666 -7.288 -0.109 1.00 0.00 C ATOM 162 C ALA A 13 1.807 -6.494 -0.749 1.00 0.00 C ATOM 163 O ALA A 13 2.670 -5.968 -0.049 1.00 0.00 O ATOM 164 CB ALA A 13 -0.584 -6.435 0.114 1.00 0.00 C ATOM 0 H ALA A 13 1.514 -7.149 1.802 1.00 0.00 H new ATOM 0 HA ALA A 13 0.395 -8.089 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.920 -6.025 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.374 -7.052 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.350 -5.619 0.798 1.00 0.00 H new ATOM 170 N LYS A 14 1.773 -6.433 -2.072 1.00 0.00 N ATOM 171 CA LYS A 14 2.794 -5.713 -2.814 1.00 0.00 C ATOM 172 C LYS A 14 2.140 -4.572 -3.596 1.00 0.00 C ATOM 173 O LYS A 14 1.182 -4.790 -4.336 1.00 0.00 O ATOM 174 CB LYS A 14 3.599 -6.675 -3.690 1.00 0.00 C ATOM 175 CG LYS A 14 4.402 -5.913 -4.747 1.00 0.00 C ATOM 176 CD LYS A 14 5.025 -6.875 -5.760 1.00 0.00 C ATOM 177 CE LYS A 14 4.023 -7.241 -6.857 1.00 0.00 C ATOM 178 NZ LYS A 14 3.774 -6.078 -7.739 1.00 0.00 N ATOM 0 H LYS A 14 1.055 -6.870 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 14 3.514 -5.262 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.275 -7.261 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.925 -7.379 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.752 -5.206 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.186 -5.330 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.907 -6.417 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.358 -7.779 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.406 -8.075 -7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.087 -7.571 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.382 -6.407 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.097 -5.434 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.668 -5.575 -7.911 1.00 0.00 H new ATOM 192 N ALA A 15 2.683 -3.378 -3.404 1.00 0.00 N ATOM 193 CA ALA A 15 2.164 -2.202 -4.082 1.00 0.00 C ATOM 194 C ALA A 15 2.396 -2.343 -5.587 1.00 0.00 C ATOM 195 O ALA A 15 3.512 -2.623 -6.024 1.00 0.00 O ATOM 196 CB ALA A 15 2.823 -0.948 -3.505 1.00 0.00 C ATOM 0 H ALA A 15 3.477 -3.200 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 15 1.090 -2.109 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.434 -0.066 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.604 -0.879 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.902 -1.004 -3.650 1.00 0.00 H new ATOM 202 N LEU A 16 1.325 -2.141 -6.341 1.00 0.00 N ATOM 203 CA LEU A 16 1.398 -2.241 -7.788 1.00 0.00 C ATOM 204 C LEU A 16 2.041 -0.972 -8.351 1.00 0.00 C ATOM 205 O LEU A 16 2.907 -1.045 -9.222 1.00 0.00 O ATOM 206 CB LEU A 16 0.018 -2.544 -8.375 1.00 0.00 C ATOM 207 CG LEU A 16 -0.636 -3.848 -7.913 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.115 -3.886 -8.300 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.127 -5.063 -8.446 1.00 0.00 C ATOM 0 H LEU A 16 0.401 -1.908 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 16 2.033 -3.077 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.649 -1.718 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.105 -2.569 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.586 -3.888 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.556 -4.823 -7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.635 -3.050 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.210 -3.812 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.359 -5.977 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.131 -5.041 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.153 -5.038 -8.079 1.00 0.00 H new ATOM 221 N TYR A 17 1.592 0.161 -7.832 1.00 0.00 N ATOM 222 CA TYR A 17 2.112 1.444 -8.272 1.00 0.00 C ATOM 223 C TYR A 17 2.529 2.305 -7.078 1.00 0.00 C ATOM 224 O TYR A 17 1.989 2.158 -5.983 1.00 0.00 O ATOM 225 CB TYR A 17 0.962 2.136 -9.007 1.00 0.00 C ATOM 226 CG TYR A 17 0.255 1.247 -10.033 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.799 0.446 -9.641 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.671 1.246 -11.348 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.464 -0.391 -10.606 1.00 0.00 C ATOM 230 CE2 TYR A 17 0.006 0.409 -12.313 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.029 -0.368 -11.894 1.00 0.00 C ATOM 232 OH TYR A 17 -1.658 -1.158 -12.806 1.00 0.00 O ATOM 0 H TYR A 17 0.873 0.217 -7.110 1.00 0.00 H new ATOM 0 HA TYR A 17 2.989 1.306 -8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.231 2.480 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.348 3.021 -9.513 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.125 0.447 -8.611 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.495 1.873 -11.654 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.290 -1.023 -10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.322 0.398 -13.346 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.242 -1.038 -13.685 1.00 0.00 H new ATOM 242 N ALA A 18 3.488 3.184 -7.330 1.00 0.00 N ATOM 243 CA ALA A 18 3.984 4.069 -6.290 1.00 0.00 C ATOM 244 C ALA A 18 2.907 5.100 -5.946 1.00 0.00 C ATOM 245 O ALA A 18 2.300 5.689 -6.839 1.00 0.00 O ATOM 246 CB ALA A 18 5.289 4.721 -6.752 1.00 0.00 C ATOM 0 H ALA A 18 3.935 3.302 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 18 4.204 3.507 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.660 5.385 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.030 3.948 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.107 5.295 -7.660 1.00 0.00 H new ATOM 252 N CYS A 19 2.703 5.287 -4.651 1.00 0.00 N ATOM 253 CA CYS A 19 1.710 6.236 -4.179 1.00 0.00 C ATOM 254 C CYS A 19 2.312 7.022 -3.013 1.00 0.00 C ATOM 255 O CYS A 19 3.184 6.519 -2.305 1.00 0.00 O ATOM 256 CB CYS A 19 0.405 5.541 -3.785 1.00 0.00 C ATOM 257 SG CYS A 19 -1.027 6.510 -4.386 1.00 0.00 S ATOM 0 H CYS A 19 3.209 4.797 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 19 1.450 6.924 -4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.377 4.536 -4.206 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.353 5.434 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.456 6.003 -5.503 1.00 0.00 H new ATOM 263 N LYS A 20 1.824 8.243 -2.848 1.00 0.00 N ATOM 264 CA LYS A 20 2.304 9.103 -1.780 1.00 0.00 C ATOM 265 C LYS A 20 1.111 9.627 -0.978 1.00 0.00 C ATOM 266 O LYS A 20 0.271 10.351 -1.509 1.00 0.00 O ATOM 267 CB LYS A 20 3.199 10.209 -2.344 1.00 0.00 C ATOM 268 CG LYS A 20 4.141 10.754 -1.268 1.00 0.00 C ATOM 269 CD LYS A 20 4.015 12.273 -1.147 1.00 0.00 C ATOM 270 CE LYS A 20 5.236 12.870 -0.444 1.00 0.00 C ATOM 271 NZ LYS A 20 6.150 13.489 -1.429 1.00 0.00 N ATOM 0 H LYS A 20 1.101 8.657 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 20 2.930 8.539 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.781 9.820 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.581 11.017 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.911 10.289 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.170 10.489 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.911 12.713 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.112 12.523 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.916 13.616 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.761 12.091 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.973 13.889 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.470 12.768 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.650 14.246 -1.938 1.00 0.00 H new ATOM 285 N ALA A 21 1.074 9.239 0.289 1.00 0.00 N ATOM 286 CA ALA A 21 -0.002 9.660 1.169 1.00 0.00 C ATOM 287 C ALA A 21 -0.320 11.134 0.911 1.00 0.00 C ATOM 288 O ALA A 21 0.587 11.949 0.749 1.00 0.00 O ATOM 289 CB ALA A 21 0.395 9.395 2.623 1.00 0.00 C ATOM 0 H ALA A 21 1.772 8.638 0.726 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.908 9.088 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.412 9.711 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.581 8.330 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.299 9.955 2.861 1.00 0.00 H new ATOM 295 N GLU A 22 -1.611 11.431 0.879 1.00 0.00 N ATOM 296 CA GLU A 22 -2.060 12.792 0.642 1.00 0.00 C ATOM 297 C GLU A 22 -3.082 13.206 1.703 1.00 0.00 C ATOM 298 O GLU A 22 -3.909 14.084 1.464 1.00 0.00 O ATOM 299 CB GLU A 22 -2.640 12.941 -0.765 1.00 0.00 C ATOM 300 CG GLU A 22 -1.548 13.309 -1.772 1.00 0.00 C ATOM 301 CD GLU A 22 -2.069 14.311 -2.804 1.00 0.00 C ATOM 302 OE1 GLU A 22 -2.797 13.861 -3.715 1.00 0.00 O ATOM 303 OE2 GLU A 22 -1.727 15.504 -2.659 1.00 0.00 O ATOM 0 H GLU A 22 -2.360 10.752 1.013 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.199 13.456 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.118 12.009 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.413 13.710 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.692 13.734 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.197 12.410 -2.278 1.00 0.00 H new ATOM 310 N HIS A 23 -2.991 12.554 2.853 1.00 0.00 N ATOM 311 CA HIS A 23 -3.897 12.843 3.951 1.00 0.00 C ATOM 312 C HIS A 23 -3.142 12.747 5.279 1.00 0.00 C ATOM 313 O HIS A 23 -2.747 13.763 5.847 1.00 0.00 O ATOM 314 CB HIS A 23 -5.123 11.929 3.899 1.00 0.00 C ATOM 315 CG HIS A 23 -5.675 11.565 5.256 1.00 0.00 C ATOM 316 ND1 HIS A 23 -5.852 12.493 6.268 1.00 0.00 N ATOM 317 CD2 HIS A 23 -6.089 10.365 5.757 1.00 0.00 C ATOM 318 CE1 HIS A 23 -6.349 11.869 7.326 1.00 0.00 C ATOM 319 NE2 HIS A 23 -6.495 10.550 7.007 1.00 0.00 N ATOM 0 H HIS A 23 -2.303 11.826 3.048 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.272 13.862 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.905 12.420 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.859 11.014 3.368 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -5.636 13.488 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.087 9.424 5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.595 12.324 8.274 1.00 0.00 H new ATOM 327 N ASP A 24 -2.964 11.515 5.733 1.00 0.00 N ATOM 328 CA ASP A 24 -2.263 11.273 6.983 1.00 0.00 C ATOM 329 C ASP A 24 -2.314 9.779 7.310 1.00 0.00 C ATOM 330 O ASP A 24 -1.275 9.139 7.468 1.00 0.00 O ATOM 331 CB ASP A 24 -2.919 12.032 8.138 1.00 0.00 C ATOM 332 CG ASP A 24 -1.962 12.870 8.988 1.00 0.00 C ATOM 333 OD1 ASP A 24 -1.754 14.045 8.616 1.00 0.00 O ATOM 334 OD2 ASP A 24 -1.459 12.317 9.989 1.00 0.00 O ATOM 0 H ASP A 24 -3.293 10.674 5.258 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.235 11.615 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.689 12.688 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.422 11.314 8.786 1.00 0.00 H new ATOM 339 N SER A 25 -3.532 9.267 7.401 1.00 0.00 N ATOM 340 CA SER A 25 -3.731 7.860 7.706 1.00 0.00 C ATOM 341 C SER A 25 -3.112 6.994 6.608 1.00 0.00 C ATOM 342 O SER A 25 -2.618 5.900 6.879 1.00 0.00 O ATOM 343 CB SER A 25 -5.218 7.536 7.863 1.00 0.00 C ATOM 344 OG SER A 25 -5.427 6.323 8.581 1.00 0.00 O ATOM 0 H SER A 25 -4.391 9.801 7.269 1.00 0.00 H new ATOM 0 HA SER A 25 -3.237 7.642 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.715 8.355 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.678 7.458 6.878 1.00 0.00 H new ATOM 0 HG SER A 25 -6.389 6.152 8.661 1.00 0.00 H new ATOM 350 N GLU A 26 -3.160 7.514 5.390 1.00 0.00 N ATOM 351 CA GLU A 26 -2.610 6.802 4.250 1.00 0.00 C ATOM 352 C GLU A 26 -1.098 6.630 4.410 1.00 0.00 C ATOM 353 O GLU A 26 -0.465 7.356 5.174 1.00 0.00 O ATOM 354 CB GLU A 26 -2.944 7.521 2.941 1.00 0.00 C ATOM 355 CG GLU A 26 -4.391 7.253 2.523 1.00 0.00 C ATOM 356 CD GLU A 26 -4.502 7.093 1.005 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.741 6.262 0.465 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.346 7.805 0.419 1.00 0.00 O ATOM 0 H GLU A 26 -3.572 8.421 5.168 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.066 5.813 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.789 8.593 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.267 7.187 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.754 6.351 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.027 8.074 2.853 1.00 0.00 H new ATOM 365 N LEU A 27 -0.564 5.665 3.676 1.00 0.00 N ATOM 366 CA LEU A 27 0.862 5.388 3.727 1.00 0.00 C ATOM 367 C LEU A 27 1.475 5.635 2.347 1.00 0.00 C ATOM 368 O LEU A 27 0.784 5.549 1.333 1.00 0.00 O ATOM 369 CB LEU A 27 1.115 3.980 4.270 1.00 0.00 C ATOM 370 CG LEU A 27 0.387 3.619 5.566 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.296 2.102 5.740 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.045 4.296 6.770 1.00 0.00 C ATOM 0 H LEU A 27 -1.093 5.065 3.043 1.00 0.00 H new ATOM 0 HA LEU A 27 1.357 6.066 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.829 3.260 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.186 3.863 4.434 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.633 3.997 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.226 1.873 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.251 1.672 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.300 1.679 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.509 4.023 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.082 3.970 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.014 5.378 6.641 1.00 0.00 H new ATOM 384 N SER A 28 2.765 5.937 2.354 1.00 0.00 N ATOM 385 CA SER A 28 3.479 6.197 1.115 1.00 0.00 C ATOM 386 C SER A 28 4.520 5.103 0.872 1.00 0.00 C ATOM 387 O SER A 28 5.238 4.709 1.790 1.00 0.00 O ATOM 388 CB SER A 28 4.150 7.571 1.144 1.00 0.00 C ATOM 389 OG SER A 28 3.243 8.600 1.534 1.00 0.00 O ATOM 0 H SER A 28 3.334 6.007 3.197 1.00 0.00 H new ATOM 0 HA SER A 28 2.758 6.192 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.992 7.549 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.554 7.798 0.157 1.00 0.00 H new ATOM 0 HG SER A 28 3.739 9.429 1.697 1.00 0.00 H new ATOM 395 N PHE A 29 4.570 4.643 -0.370 1.00 0.00 N ATOM 396 CA PHE A 29 5.512 3.603 -0.746 1.00 0.00 C ATOM 397 C PHE A 29 5.780 3.624 -2.252 1.00 0.00 C ATOM 398 O PHE A 29 5.271 4.487 -2.965 1.00 0.00 O ATOM 399 CB PHE A 29 4.872 2.264 -0.372 1.00 0.00 C ATOM 400 CG PHE A 29 3.376 2.181 -0.683 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.959 1.811 -1.923 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.464 2.478 0.281 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.570 1.735 -2.212 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.076 2.401 -0.007 1.00 0.00 C ATOM 405 CZ PHE A 29 0.658 2.031 -1.247 1.00 0.00 C ATOM 0 H PHE A 29 3.973 4.972 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 29 6.461 3.758 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.388 1.465 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.022 2.086 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.684 1.575 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.796 2.772 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.238 1.442 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.352 2.636 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.398 1.972 -1.466 1.00 0.00 H new ATOM 415 N THR A 30 6.580 2.663 -2.692 1.00 0.00 N ATOM 416 CA THR A 30 6.922 2.560 -4.100 1.00 0.00 C ATOM 417 C THR A 30 6.522 1.189 -4.647 1.00 0.00 C ATOM 418 O THR A 30 6.581 0.190 -3.932 1.00 0.00 O ATOM 419 CB THR A 30 8.415 2.862 -4.247 1.00 0.00 C ATOM 420 OG1 THR A 30 9.050 1.864 -3.452 1.00 0.00 O ATOM 421 CG2 THR A 30 8.815 4.180 -3.581 1.00 0.00 C ATOM 0 H THR A 30 7.001 1.949 -2.098 1.00 0.00 H new ATOM 0 HA THR A 30 6.369 3.286 -4.696 1.00 0.00 H new ATOM 0 HB THR A 30 8.676 2.897 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.022 1.984 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.884 4.346 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.261 5.001 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.586 4.134 -2.516 1.00 0.00 H new ATOM 429 N ALA A 31 6.124 1.184 -5.911 1.00 0.00 N ATOM 430 CA ALA A 31 5.715 -0.048 -6.563 1.00 0.00 C ATOM 431 C ALA A 31 6.710 -1.158 -6.217 1.00 0.00 C ATOM 432 O ALA A 31 7.921 -0.956 -6.293 1.00 0.00 O ATOM 433 CB ALA A 31 5.601 0.185 -8.070 1.00 0.00 C ATOM 0 H ALA A 31 6.076 2.015 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 31 4.734 -0.363 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.294 -0.740 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.860 0.961 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.567 0.500 -8.464 1.00 0.00 H new ATOM 439 N GLY A 32 6.163 -2.305 -5.845 1.00 0.00 N ATOM 440 CA GLY A 32 6.988 -3.447 -5.488 1.00 0.00 C ATOM 441 C GLY A 32 7.141 -3.559 -3.970 1.00 0.00 C ATOM 442 O GLY A 32 7.606 -4.579 -3.463 1.00 0.00 O ATOM 0 H GLY A 32 5.158 -2.469 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.541 -4.360 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.970 -3.349 -5.950 1.00 0.00 H new ATOM 446 N THR A 33 6.743 -2.496 -3.287 1.00 0.00 N ATOM 447 CA THR A 33 6.831 -2.462 -1.837 1.00 0.00 C ATOM 448 C THR A 33 5.896 -3.505 -1.222 1.00 0.00 C ATOM 449 O THR A 33 4.691 -3.487 -1.470 1.00 0.00 O ATOM 450 CB THR A 33 6.532 -1.033 -1.379 1.00 0.00 C ATOM 451 OG1 THR A 33 7.760 -0.339 -1.584 1.00 0.00 O ATOM 452 CG2 THR A 33 6.299 -0.938 0.131 1.00 0.00 C ATOM 0 H THR A 33 6.359 -1.652 -3.711 1.00 0.00 H new ATOM 0 HA THR A 33 7.832 -2.726 -1.495 1.00 0.00 H new ATOM 0 HB THR A 33 5.654 -0.659 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.764 0.061 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.091 0.097 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.450 -1.563 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.189 -1.280 0.659 1.00 0.00 H new ATOM 460 N VAL A 34 6.486 -4.389 -0.431 1.00 0.00 N ATOM 461 CA VAL A 34 5.721 -5.437 0.222 1.00 0.00 C ATOM 462 C VAL A 34 5.358 -4.991 1.640 1.00 0.00 C ATOM 463 O VAL A 34 6.236 -4.648 2.430 1.00 0.00 O ATOM 464 CB VAL A 34 6.503 -6.752 0.191 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.917 -7.762 1.180 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.546 -7.331 -1.224 1.00 0.00 C ATOM 0 H VAL A 34 7.485 -4.401 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 34 4.787 -5.616 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 34 7.527 -6.540 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.491 -8.688 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.963 -7.352 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.879 -7.967 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.108 -8.265 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.530 -7.521 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.031 -6.620 -1.893 1.00 0.00 H new ATOM 476 N PHE A 35 4.063 -5.009 1.918 1.00 0.00 N ATOM 477 CA PHE A 35 3.574 -4.611 3.227 1.00 0.00 C ATOM 478 C PHE A 35 3.480 -5.814 4.168 1.00 0.00 C ATOM 479 O PHE A 35 3.256 -6.938 3.722 1.00 0.00 O ATOM 480 CB PHE A 35 2.174 -4.028 3.023 1.00 0.00 C ATOM 481 CG PHE A 35 2.133 -2.822 2.082 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.313 -1.568 2.577 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.916 -3.004 0.752 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.275 -0.448 1.704 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.878 -1.884 -0.121 1.00 0.00 C ATOM 486 CZ PHE A 35 2.058 -0.630 0.374 1.00 0.00 C ATOM 0 H PHE A 35 3.338 -5.293 1.260 1.00 0.00 H new ATOM 0 HA PHE A 35 4.256 -3.887 3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.521 -4.807 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.769 -3.734 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.485 -1.424 3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.773 -4.000 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.418 0.548 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.706 -2.028 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.029 0.222 -0.290 1.00 0.00 H new ATOM 496 N ASP A 36 3.657 -5.536 5.451 1.00 0.00 N ATOM 497 CA ASP A 36 3.595 -6.582 6.458 1.00 0.00 C ATOM 498 C ASP A 36 2.189 -6.621 7.061 1.00 0.00 C ATOM 499 O ASP A 36 1.552 -5.582 7.228 1.00 0.00 O ATOM 500 CB ASP A 36 4.588 -6.315 7.591 1.00 0.00 C ATOM 501 CG ASP A 36 5.866 -7.155 7.543 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.245 -7.547 6.418 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.434 -7.387 8.632 1.00 0.00 O ATOM 0 H ASP A 36 3.843 -4.602 5.816 1.00 0.00 H new ATOM 0 HA ASP A 36 3.842 -7.528 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.863 -5.261 7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.088 -6.496 8.542 1.00 0.00 H new ATOM 508 N ASN A 37 1.747 -7.831 7.371 1.00 0.00 N ATOM 509 CA ASN A 37 0.428 -8.019 7.952 1.00 0.00 C ATOM 510 C ASN A 37 -0.564 -7.075 7.270 1.00 0.00 C ATOM 511 O ASN A 37 -0.784 -5.958 7.736 1.00 0.00 O ATOM 512 CB ASN A 37 0.434 -7.699 9.448 1.00 0.00 C ATOM 513 CG ASN A 37 -0.535 -8.606 10.207 1.00 0.00 C ATOM 514 OD1 ASN A 37 -0.147 -9.441 11.008 1.00 0.00 O ATOM 515 ND2 ASN A 37 -1.815 -8.398 9.912 1.00 0.00 N ATOM 0 H ASN A 37 2.278 -8.690 7.231 1.00 0.00 H new ATOM 0 HA ASN A 37 0.141 -9.061 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.441 -7.823 9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.157 -6.656 9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.540 -8.954 10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.072 -7.683 9.232 1.00 0.00 H new ATOM 522 N VAL A 38 -1.137 -7.559 6.178 1.00 0.00 N ATOM 523 CA VAL A 38 -2.101 -6.772 5.427 1.00 0.00 C ATOM 524 C VAL A 38 -3.514 -7.259 5.753 1.00 0.00 C ATOM 525 O VAL A 38 -3.706 -8.416 6.122 1.00 0.00 O ATOM 526 CB VAL A 38 -1.777 -6.833 3.933 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.907 -6.223 3.102 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.443 -6.147 3.633 1.00 0.00 C ATOM 0 H VAL A 38 -0.952 -8.486 5.795 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.044 -5.722 5.715 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.684 -7.882 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.652 -6.279 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.830 -6.775 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.046 -5.180 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.236 -6.205 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.495 -5.101 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.355 -6.646 4.184 1.00 0.00 H new ATOM 538 N HIS A 39 -4.468 -6.350 5.605 1.00 0.00 N ATOM 539 CA HIS A 39 -5.858 -6.673 5.879 1.00 0.00 C ATOM 540 C HIS A 39 -6.750 -5.509 5.442 1.00 0.00 C ATOM 541 O HIS A 39 -6.282 -4.380 5.306 1.00 0.00 O ATOM 542 CB HIS A 39 -6.049 -7.047 7.350 1.00 0.00 C ATOM 543 CG HIS A 39 -5.641 -5.962 8.318 1.00 0.00 C ATOM 544 ND1 HIS A 39 -4.955 -6.224 9.491 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.828 -4.612 8.273 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.745 -5.075 10.117 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.287 -4.078 9.361 1.00 0.00 N ATOM 0 H HIS A 39 -4.305 -5.391 5.299 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.153 -7.549 5.301 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.097 -7.294 7.518 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.471 -7.946 7.564 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.661 -7.144 9.818 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.331 -4.070 7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.234 -4.950 11.060 1.00 0.00 H new ATOM 555 N PRO A 40 -8.054 -5.834 5.229 1.00 0.00 N ATOM 556 CA PRO A 40 -9.016 -4.829 4.811 1.00 0.00 C ATOM 557 C PRO A 40 -9.397 -3.915 5.978 1.00 0.00 C ATOM 558 O PRO A 40 -10.054 -4.350 6.922 1.00 0.00 O ATOM 559 CB PRO A 40 -10.195 -5.616 4.263 1.00 0.00 C ATOM 560 CG PRO A 40 -10.049 -7.024 4.819 1.00 0.00 C ATOM 561 CD PRO A 40 -8.644 -7.160 5.381 1.00 0.00 C ATOM 0 HA PRO A 40 -8.617 -4.155 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.140 -5.170 4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.187 -5.623 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.790 -7.206 5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.220 -7.763 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.664 -7.467 6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.072 -7.913 4.839 1.00 0.00 H new ATOM 569 N SER A 41 -8.969 -2.666 5.874 1.00 0.00 N ATOM 570 CA SER A 41 -9.257 -1.687 6.909 1.00 0.00 C ATOM 571 C SER A 41 -10.769 -1.582 7.122 1.00 0.00 C ATOM 572 O SER A 41 -11.519 -2.473 6.728 1.00 0.00 O ATOM 573 CB SER A 41 -8.675 -0.319 6.550 1.00 0.00 C ATOM 574 OG SER A 41 -8.280 0.413 7.707 1.00 0.00 O ATOM 0 H SER A 41 -8.425 -2.309 5.089 1.00 0.00 H new ATOM 0 HA SER A 41 -8.788 -2.019 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.815 -0.452 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.415 0.255 5.993 1.00 0.00 H new ATOM 0 HG SER A 41 -8.467 -0.118 8.509 1.00 0.00 H new ATOM 580 N GLN A 42 -11.171 -0.484 7.747 1.00 0.00 N ATOM 581 CA GLN A 42 -12.579 -0.251 8.018 1.00 0.00 C ATOM 582 C GLN A 42 -13.229 0.490 6.847 1.00 0.00 C ATOM 583 O GLN A 42 -14.453 0.569 6.761 1.00 0.00 O ATOM 584 CB GLN A 42 -12.765 0.520 9.326 1.00 0.00 C ATOM 585 CG GLN A 42 -13.241 -0.407 10.446 1.00 0.00 C ATOM 586 CD GLN A 42 -14.757 -0.606 10.385 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.357 -0.684 9.325 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.341 -0.684 11.577 1.00 0.00 N ATOM 0 H GLN A 42 -10.546 0.253 8.073 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.072 -1.216 8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.824 0.989 9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.489 1.321 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.740 -1.372 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.964 0.013 11.413 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.780 -0.611 12.426 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.350 -0.817 11.643 1.00 0.00 H new ATOM 597 N GLU A 43 -12.380 1.014 5.975 1.00 0.00 N ATOM 598 CA GLU A 43 -12.856 1.745 4.814 1.00 0.00 C ATOM 599 C GLU A 43 -13.032 0.798 3.625 1.00 0.00 C ATOM 600 O GLU A 43 -12.367 -0.234 3.546 1.00 0.00 O ATOM 601 CB GLU A 43 -11.910 2.895 4.464 1.00 0.00 C ATOM 602 CG GLU A 43 -12.093 4.069 5.427 1.00 0.00 C ATOM 603 CD GLU A 43 -12.167 3.583 6.876 1.00 0.00 C ATOM 604 OE1 GLU A 43 -13.297 3.285 7.318 1.00 0.00 O ATOM 605 OE2 GLU A 43 -11.091 3.522 7.509 1.00 0.00 O ATOM 0 H GLU A 43 -11.365 0.947 6.050 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.827 2.178 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.878 2.546 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.097 3.226 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.264 4.768 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.004 4.612 5.175 1.00 0.00 H new ATOM 612 N PRO A 44 -13.954 1.193 2.707 1.00 0.00 N ATOM 613 CA PRO A 44 -14.225 0.391 1.526 1.00 0.00 C ATOM 614 C PRO A 44 -13.096 0.524 0.501 1.00 0.00 C ATOM 615 O PRO A 44 -12.711 1.635 0.139 1.00 0.00 O ATOM 616 CB PRO A 44 -15.562 0.895 1.006 1.00 0.00 C ATOM 617 CG PRO A 44 -15.765 2.263 1.637 1.00 0.00 C ATOM 618 CD PRO A 44 -14.759 2.409 2.768 1.00 0.00 C ATOM 0 HA PRO A 44 -14.274 -0.676 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.557 0.963 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.369 0.215 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.623 3.050 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.782 2.361 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.143 3.299 2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.258 2.505 3.732 1.00 0.00 H new ATOM 626 N GLY A 45 -12.599 -0.623 0.064 1.00 0.00 N ATOM 627 CA GLY A 45 -11.522 -0.648 -0.912 1.00 0.00 C ATOM 628 C GLY A 45 -10.256 -0.001 -0.348 1.00 0.00 C ATOM 629 O GLY A 45 -9.528 0.679 -1.070 1.00 0.00 O ATOM 0 H GLY A 45 -12.922 -1.542 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.311 -1.678 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.832 -0.122 -1.815 1.00 0.00 H new ATOM 633 N TRP A 46 -10.033 -0.234 0.937 1.00 0.00 N ATOM 634 CA TRP A 46 -8.867 0.318 1.606 1.00 0.00 C ATOM 635 C TRP A 46 -8.287 -0.766 2.516 1.00 0.00 C ATOM 636 O TRP A 46 -8.990 -1.311 3.365 1.00 0.00 O ATOM 637 CB TRP A 46 -9.223 1.602 2.358 1.00 0.00 C ATOM 638 CG TRP A 46 -9.496 2.801 1.447 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.678 3.350 1.139 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.512 3.581 0.735 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.530 4.423 0.283 1.00 0.00 N ATOM 642 CE2 TRP A 46 -9.171 4.568 0.031 1.00 0.00 C ATOM 643 CE3 TRP A 46 -7.113 3.458 0.689 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.511 5.507 -0.772 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.468 4.403 -0.118 1.00 0.00 C ATOM 646 CH2 TRP A 46 -7.117 5.403 -0.834 1.00 0.00 C ATOM 0 H TRP A 46 -10.640 -0.797 1.533 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.107 0.607 0.880 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.104 1.418 2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.407 1.852 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.628 2.998 1.513 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.280 5.002 -0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.577 2.694 1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.049 6.270 -1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.392 4.352 -0.189 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.548 6.096 -1.435 1.00 0.00 H new ATOM 657 N LEU A 47 -7.008 -1.046 2.309 1.00 0.00 N ATOM 658 CA LEU A 47 -6.325 -2.056 3.100 1.00 0.00 C ATOM 659 C LEU A 47 -5.507 -1.370 4.196 1.00 0.00 C ATOM 660 O LEU A 47 -4.997 -0.269 3.998 1.00 0.00 O ATOM 661 CB LEU A 47 -5.498 -2.974 2.199 1.00 0.00 C ATOM 662 CG LEU A 47 -6.250 -3.630 1.038 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.297 -4.432 0.151 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.412 -4.484 1.551 1.00 0.00 C ATOM 0 H LEU A 47 -6.427 -0.591 1.605 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.047 -2.704 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.669 -2.397 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.064 -3.761 2.816 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.678 -2.842 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.857 -4.888 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.535 -3.768 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.819 -5.213 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.930 -4.939 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.027 -5.267 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.107 -3.856 2.107 1.00 0.00 H new ATOM 676 N GLU A 48 -5.407 -2.051 5.329 1.00 0.00 N ATOM 677 CA GLU A 48 -4.660 -1.521 6.457 1.00 0.00 C ATOM 678 C GLU A 48 -3.507 -2.461 6.818 1.00 0.00 C ATOM 679 O GLU A 48 -3.718 -3.491 7.456 1.00 0.00 O ATOM 680 CB GLU A 48 -5.575 -1.288 7.660 1.00 0.00 C ATOM 681 CG GLU A 48 -4.890 -0.408 8.707 1.00 0.00 C ATOM 682 CD GLU A 48 -5.917 0.416 9.487 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.829 -0.213 10.064 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.766 1.657 9.489 1.00 0.00 O ATOM 0 H GLU A 48 -5.831 -2.965 5.490 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.241 -0.557 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.500 -0.815 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.847 -2.245 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.320 -1.032 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.179 0.258 8.218 1.00 0.00 H new ATOM 691 N GLY A 49 -2.314 -2.072 6.393 1.00 0.00 N ATOM 692 CA GLY A 49 -1.128 -2.867 6.664 1.00 0.00 C ATOM 693 C GLY A 49 -0.105 -2.067 7.473 1.00 0.00 C ATOM 694 O GLY A 49 -0.375 -0.938 7.879 1.00 0.00 O ATOM 0 H GLY A 49 -2.143 -1.217 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.407 -3.767 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.681 -3.191 5.724 1.00 0.00 H new ATOM 698 N THR A 50 1.049 -2.684 7.683 1.00 0.00 N ATOM 699 CA THR A 50 2.114 -2.044 8.435 1.00 0.00 C ATOM 700 C THR A 50 3.361 -1.882 7.564 1.00 0.00 C ATOM 701 O THR A 50 3.951 -2.870 7.129 1.00 0.00 O ATOM 702 CB THR A 50 2.360 -2.868 9.701 1.00 0.00 C ATOM 703 OG1 THR A 50 1.091 -2.899 10.347 1.00 0.00 O ATOM 704 CG2 THR A 50 3.270 -2.150 10.700 1.00 0.00 C ATOM 0 H THR A 50 1.269 -3.621 7.345 1.00 0.00 H new ATOM 0 HA THR A 50 1.833 -1.035 8.736 1.00 0.00 H new ATOM 0 HB THR A 50 2.804 -3.826 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.815 -1.986 10.570 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.412 -2.778 11.580 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.236 -1.953 10.235 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.811 -1.207 10.998 1.00 0.00 H new ATOM 712 N LEU A 51 3.724 -0.629 7.333 1.00 0.00 N ATOM 713 CA LEU A 51 4.890 -0.325 6.521 1.00 0.00 C ATOM 714 C LEU A 51 5.912 0.437 7.368 1.00 0.00 C ATOM 715 O LEU A 51 5.727 1.619 7.654 1.00 0.00 O ATOM 716 CB LEU A 51 4.477 0.411 5.245 1.00 0.00 C ATOM 717 CG LEU A 51 5.620 0.902 4.354 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.088 -0.203 3.405 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.222 2.173 3.601 1.00 0.00 C ATOM 0 H LEU A 51 3.231 0.188 7.694 1.00 0.00 H new ATOM 0 HA LEU A 51 5.373 -1.244 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.843 -0.252 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.867 1.270 5.526 1.00 0.00 H new ATOM 0 HG LEU A 51 6.465 1.158 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.901 0.172 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.439 -1.056 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.258 -0.513 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.052 2.500 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.354 1.968 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.975 2.958 4.316 1.00 0.00 H new ATOM 731 N ASN A 52 6.967 -0.271 7.744 1.00 0.00 N ATOM 732 CA ASN A 52 8.017 0.324 8.552 1.00 0.00 C ATOM 733 C ASN A 52 7.429 0.788 9.886 1.00 0.00 C ATOM 734 O ASN A 52 7.265 1.986 10.113 1.00 0.00 O ATOM 735 CB ASN A 52 8.625 1.543 7.854 1.00 0.00 C ATOM 736 CG ASN A 52 9.748 1.126 6.902 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.883 0.911 7.295 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.370 1.024 5.631 1.00 0.00 N ATOM 0 H ASN A 52 7.117 -1.251 7.504 1.00 0.00 H new ATOM 0 HA ASN A 52 8.791 -0.428 8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.851 2.073 7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.014 2.237 8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.047 0.752 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.403 1.218 5.369 1.00 0.00 H new ATOM 745 N GLY A 53 7.127 -0.185 10.733 1.00 0.00 N ATOM 746 CA GLY A 53 6.560 0.109 12.038 1.00 0.00 C ATOM 747 C GLY A 53 5.583 1.284 11.960 1.00 0.00 C ATOM 748 O GLY A 53 5.527 2.111 12.869 1.00 0.00 O ATOM 0 H GLY A 53 7.264 -1.177 10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.045 -0.772 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.359 0.342 12.741 1.00 0.00 H new ATOM 752 N LYS A 54 4.837 1.320 10.865 1.00 0.00 N ATOM 753 CA LYS A 54 3.866 2.380 10.656 1.00 0.00 C ATOM 754 C LYS A 54 2.627 1.803 9.969 1.00 0.00 C ATOM 755 O LYS A 54 2.723 1.238 8.881 1.00 0.00 O ATOM 756 CB LYS A 54 4.501 3.548 9.899 1.00 0.00 C ATOM 757 CG LYS A 54 3.673 4.824 10.064 1.00 0.00 C ATOM 758 CD LYS A 54 4.399 6.030 9.464 1.00 0.00 C ATOM 759 CE LYS A 54 3.883 6.336 8.057 1.00 0.00 C ATOM 760 NZ LYS A 54 4.866 5.903 7.039 1.00 0.00 N ATOM 0 H LYS A 54 4.886 0.632 10.114 1.00 0.00 H new ATOM 0 HA LYS A 54 3.539 2.790 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.513 3.717 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.584 3.298 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.705 4.699 9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.478 5.001 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.257 6.900 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.470 5.833 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.933 5.827 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.694 7.405 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.500 6.118 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.764 6.407 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.026 4.879 7.125 1.00 0.00 H new ATOM 774 N THR A 55 1.492 1.964 10.633 1.00 0.00 N ATOM 775 CA THR A 55 0.235 1.466 10.099 1.00 0.00 C ATOM 776 C THR A 55 -0.595 2.616 9.527 1.00 0.00 C ATOM 777 O THR A 55 -0.586 3.722 10.066 1.00 0.00 O ATOM 778 CB THR A 55 -0.479 0.697 11.212 1.00 0.00 C ATOM 779 OG1 THR A 55 0.289 -0.495 11.359 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.861 0.198 10.786 1.00 0.00 C ATOM 0 H THR A 55 1.416 2.432 11.536 1.00 0.00 H new ATOM 0 HA THR A 55 0.402 0.783 9.267 1.00 0.00 H new ATOM 0 HB THR A 55 -0.578 1.337 12.089 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.104 -1.052 12.063 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.324 -0.341 11.613 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.486 1.048 10.511 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.759 -0.469 9.930 1.00 0.00 H new ATOM 788 N GLY A 56 -1.293 2.317 8.441 1.00 0.00 N ATOM 789 CA GLY A 56 -2.127 3.313 7.789 1.00 0.00 C ATOM 790 C GLY A 56 -3.051 2.663 6.758 1.00 0.00 C ATOM 791 O GLY A 56 -3.143 1.439 6.685 1.00 0.00 O ATOM 0 H GLY A 56 -1.298 1.399 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.722 3.839 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.497 4.057 7.301 1.00 0.00 H new ATOM 795 N LEU A 57 -3.712 3.513 5.985 1.00 0.00 N ATOM 796 CA LEU A 57 -4.626 3.037 4.960 1.00 0.00 C ATOM 797 C LEU A 57 -3.859 2.838 3.651 1.00 0.00 C ATOM 798 O LEU A 57 -2.925 3.582 3.356 1.00 0.00 O ATOM 799 CB LEU A 57 -5.826 3.978 4.834 1.00 0.00 C ATOM 800 CG LEU A 57 -6.707 4.112 6.077 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.893 5.041 5.811 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.155 2.740 6.583 1.00 0.00 C ATOM 0 H LEU A 57 -3.633 4.528 6.048 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.039 2.067 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.459 4.968 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.448 3.633 4.008 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.113 4.568 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.503 5.119 6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.526 6.030 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.496 4.637 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.780 2.865 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.725 2.233 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.280 2.143 6.839 1.00 0.00 H new ATOM 814 N ILE A 58 -4.282 1.831 2.902 1.00 0.00 N ATOM 815 CA ILE A 58 -3.647 1.525 1.631 1.00 0.00 C ATOM 816 C ILE A 58 -4.724 1.261 0.578 1.00 0.00 C ATOM 817 O ILE A 58 -5.737 0.625 0.866 1.00 0.00 O ATOM 818 CB ILE A 58 -2.650 0.376 1.793 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.610 0.700 2.868 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.000 0.021 0.455 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.962 -0.577 3.407 1.00 0.00 C ATOM 0 H ILE A 58 -5.057 1.216 3.151 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.063 2.377 1.283 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.196 -0.505 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.843 1.353 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.084 1.244 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.296 -0.798 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.770 -0.282 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.470 0.890 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.227 -0.318 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.728 -1.217 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.468 -1.106 2.592 1.00 0.00 H new ATOM 833 N PRO A 59 -4.463 1.775 -0.654 1.00 0.00 N ATOM 834 CA PRO A 59 -5.399 1.601 -1.752 1.00 0.00 C ATOM 835 C PRO A 59 -5.342 0.173 -2.298 1.00 0.00 C ATOM 836 O PRO A 59 -4.326 -0.244 -2.851 1.00 0.00 O ATOM 837 CB PRO A 59 -4.998 2.647 -2.779 1.00 0.00 C ATOM 838 CG PRO A 59 -3.576 3.053 -2.428 1.00 0.00 C ATOM 839 CD PRO A 59 -3.274 2.534 -1.032 1.00 0.00 C ATOM 0 HA PRO A 59 -6.437 1.739 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.050 2.242 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.669 3.505 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.872 2.639 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.469 4.137 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.384 1.904 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.089 3.353 -0.336 1.00 0.00 H new ATOM 847 N GLU A 60 -6.448 -0.537 -2.125 1.00 0.00 N ATOM 848 CA GLU A 60 -6.537 -1.909 -2.594 1.00 0.00 C ATOM 849 C GLU A 60 -6.310 -1.969 -4.106 1.00 0.00 C ATOM 850 O GLU A 60 -5.944 -3.014 -4.641 1.00 0.00 O ATOM 851 CB GLU A 60 -7.883 -2.531 -2.217 1.00 0.00 C ATOM 852 CG GLU A 60 -8.175 -3.767 -3.070 1.00 0.00 C ATOM 853 CD GLU A 60 -9.167 -4.696 -2.368 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.376 -4.382 -2.424 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.694 -5.699 -1.791 1.00 0.00 O ATOM 0 H GLU A 60 -7.289 -0.187 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.755 -2.491 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.878 -2.806 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.677 -1.797 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.579 -3.460 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.247 -4.303 -3.269 1.00 0.00 H new ATOM 862 N ASN A 61 -6.537 -0.835 -4.752 1.00 0.00 N ATOM 863 CA ASN A 61 -6.361 -0.745 -6.191 1.00 0.00 C ATOM 864 C ASN A 61 -4.914 -0.357 -6.501 1.00 0.00 C ATOM 865 O ASN A 61 -4.611 0.091 -7.606 1.00 0.00 O ATOM 866 CB ASN A 61 -7.276 0.324 -6.792 1.00 0.00 C ATOM 867 CG ASN A 61 -6.984 1.699 -6.188 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.392 2.020 -5.084 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.256 2.490 -6.970 1.00 0.00 N ATOM 0 H ASN A 61 -6.841 0.030 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.608 -1.715 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.137 0.361 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.318 0.058 -6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.007 3.428 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.946 2.159 -7.884 1.00 0.00 H new ATOM 876 N TYR A 62 -4.059 -0.544 -5.507 1.00 0.00 N ATOM 877 CA TYR A 62 -2.651 -0.220 -5.659 1.00 0.00 C ATOM 878 C TYR A 62 -1.769 -1.279 -4.995 1.00 0.00 C ATOM 879 O TYR A 62 -0.568 -1.076 -4.827 1.00 0.00 O ATOM 880 CB TYR A 62 -2.447 1.117 -4.945 1.00 0.00 C ATOM 881 CG TYR A 62 -1.979 2.248 -5.864 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.704 2.563 -6.995 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.832 2.954 -5.561 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.264 3.627 -7.859 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.392 4.018 -6.425 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.129 4.302 -7.532 1.00 0.00 C ATOM 887 OH TYR A 62 -0.714 5.307 -8.348 1.00 0.00 O ATOM 0 H TYR A 62 -4.314 -0.916 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.379 -0.177 -6.714 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.384 1.411 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.715 0.984 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.602 2.011 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.265 2.708 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.822 3.884 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.503 4.578 -6.199 1.00 0.00 H new ATOM 0 HH TYR A 62 0.109 5.700 -7.990 1.00 0.00 H new ATOM 897 N VAL A 63 -2.400 -2.387 -4.635 1.00 0.00 N ATOM 898 CA VAL A 63 -1.688 -3.479 -3.993 1.00 0.00 C ATOM 899 C VAL A 63 -2.024 -4.791 -4.705 1.00 0.00 C ATOM 900 O VAL A 63 -2.964 -4.848 -5.496 1.00 0.00 O ATOM 901 CB VAL A 63 -2.014 -3.509 -2.498 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.396 -2.310 -1.777 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.526 -3.568 -2.268 1.00 0.00 C ATOM 0 H VAL A 63 -3.397 -2.552 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.611 -3.332 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.575 -4.414 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.643 -2.356 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.313 -2.331 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.791 -1.387 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.731 -3.588 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.996 -2.690 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.930 -4.468 -2.732 1.00 0.00 H new ATOM 913 N GLU A 64 -1.237 -5.812 -4.398 1.00 0.00 N ATOM 914 CA GLU A 64 -1.440 -7.119 -4.999 1.00 0.00 C ATOM 915 C GLU A 64 -1.063 -8.223 -4.009 1.00 0.00 C ATOM 916 O GLU A 64 0.090 -8.648 -3.958 1.00 0.00 O ATOM 917 CB GLU A 64 -0.645 -7.254 -6.300 1.00 0.00 C ATOM 918 CG GLU A 64 -0.461 -8.725 -6.680 1.00 0.00 C ATOM 919 CD GLU A 64 -0.657 -8.931 -8.183 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.755 -8.581 -8.666 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.297 -9.435 -8.815 1.00 0.00 O ATOM 0 H GLU A 64 -0.458 -5.760 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.497 -7.224 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.163 -6.729 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.330 -6.780 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.536 -9.057 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.174 -9.339 -6.129 1.00 0.00 H new ATOM 928 N PHE A 65 -2.057 -8.655 -3.247 1.00 0.00 N ATOM 929 CA PHE A 65 -1.843 -9.701 -2.261 1.00 0.00 C ATOM 930 C PHE A 65 -0.943 -10.805 -2.819 1.00 0.00 C ATOM 931 O PHE A 65 -1.100 -11.219 -3.967 1.00 0.00 O ATOM 932 CB PHE A 65 -3.215 -10.295 -1.935 1.00 0.00 C ATOM 933 CG PHE A 65 -4.042 -9.452 -0.962 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.880 -9.606 0.379 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.941 -8.549 -1.439 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.647 -8.824 1.282 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.708 -7.767 -0.536 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.546 -7.921 0.805 1.00 0.00 C ATOM 0 H PHE A 65 -3.012 -8.300 -3.292 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.358 -9.286 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.776 -10.417 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.078 -11.290 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.167 -10.324 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.071 -8.427 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.517 -8.946 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.421 -7.049 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.131 -7.327 1.491 1.00 0.00 H new ATOM 948 N LEU A 66 -0.019 -11.251 -1.981 1.00 0.00 N ATOM 949 CA LEU A 66 0.907 -12.299 -2.376 1.00 0.00 C ATOM 950 C LEU A 66 0.436 -13.635 -1.798 1.00 0.00 C ATOM 951 O LEU A 66 0.502 -13.849 -0.588 1.00 0.00 O ATOM 952 CB LEU A 66 2.337 -11.928 -1.980 1.00 0.00 C ATOM 953 CG LEU A 66 2.742 -10.471 -2.216 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.351 -9.860 -0.953 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.679 -10.351 -3.420 1.00 0.00 C ATOM 0 H LEU A 66 0.108 -10.906 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 66 0.919 -12.407 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.470 -12.155 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.024 -12.569 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 66 1.843 -9.900 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.630 -8.825 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.621 -9.893 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.237 -10.426 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.952 -9.306 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.579 -10.939 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.175 -10.722 -4.312 1.00 0.00 H new ATOM 967 N SER A 67 -0.029 -14.498 -2.689 1.00 0.00 N ATOM 968 CA SER A 67 -0.511 -15.807 -2.282 1.00 0.00 C ATOM 969 C SER A 67 0.630 -16.824 -2.334 1.00 0.00 C ATOM 970 O SER A 67 1.325 -16.933 -3.343 1.00 0.00 O ATOM 971 CB SER A 67 -1.672 -16.266 -3.167 1.00 0.00 C ATOM 972 OG SER A 67 -2.741 -15.325 -3.175 1.00 0.00 O ATOM 0 H SER A 67 -0.082 -14.316 -3.691 1.00 0.00 H new ATOM 0 HA SER A 67 -0.877 -15.733 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.314 -16.417 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.039 -17.229 -2.813 1.00 0.00 H new ATOM 0 HG SER A 67 -3.462 -15.653 -3.752 1.00 0.00 H new ATOM 978 N GLY A 68 0.789 -17.544 -1.233 1.00 0.00 N ATOM 979 CA GLY A 68 1.835 -18.549 -1.140 1.00 0.00 C ATOM 980 C GLY A 68 1.378 -19.874 -1.754 1.00 0.00 C ATOM 981 O GLY A 68 0.221 -20.014 -2.147 1.00 0.00 O ATOM 0 H GLY A 68 0.211 -17.451 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.730 -18.196 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.105 -18.702 -0.095 1.00 0.00 H new ATOM 985 N PRO A 69 2.335 -20.838 -1.818 1.00 0.00 N ATOM 986 CA PRO A 69 2.043 -22.147 -2.378 1.00 0.00 C ATOM 987 C PRO A 69 1.213 -22.986 -1.404 1.00 0.00 C ATOM 988 O PRO A 69 1.284 -22.789 -0.192 1.00 0.00 O ATOM 989 CB PRO A 69 3.401 -22.757 -2.680 1.00 0.00 C ATOM 990 CG PRO A 69 4.406 -21.969 -1.856 1.00 0.00 C ATOM 991 CD PRO A 69 3.716 -20.708 -1.362 1.00 0.00 C ATOM 0 HA PRO A 69 1.436 -22.093 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.422 -23.814 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.631 -22.691 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.761 -22.565 -1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 69 5.279 -21.716 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.769 -20.627 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.186 -19.813 -1.771 1.00 0.00 H new ATOM 999 N SER A 70 0.446 -23.906 -1.970 1.00 0.00 N ATOM 1000 CA SER A 70 -0.396 -24.776 -1.168 1.00 0.00 C ATOM 1001 C SER A 70 -1.416 -23.944 -0.388 1.00 0.00 C ATOM 1002 O SER A 70 -1.143 -23.507 0.729 1.00 0.00 O ATOM 1003 CB SER A 70 0.443 -25.622 -0.208 1.00 0.00 C ATOM 1004 OG SER A 70 0.226 -27.018 -0.397 1.00 0.00 O ATOM 0 H SER A 70 0.390 -24.068 -2.976 1.00 0.00 H new ATOM 0 HA SER A 70 -0.925 -25.453 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.499 -25.396 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.199 -25.353 0.820 1.00 0.00 H new ATOM 0 HG SER A 70 0.781 -27.524 0.233 1.00 0.00 H new ATOM 1010 N SER A 71 -2.571 -23.749 -1.008 1.00 0.00 N ATOM 1011 CA SER A 71 -3.633 -22.977 -0.386 1.00 0.00 C ATOM 1012 C SER A 71 -4.742 -23.912 0.102 1.00 0.00 C ATOM 1013 O SER A 71 -5.672 -24.220 -0.642 1.00 0.00 O ATOM 1014 CB SER A 71 -4.202 -21.941 -1.357 1.00 0.00 C ATOM 1015 OG SER A 71 -3.671 -20.640 -1.120 1.00 0.00 O ATOM 0 H SER A 71 -2.794 -24.112 -1.935 1.00 0.00 H new ATOM 0 HA SER A 71 -3.214 -22.444 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.979 -22.243 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.287 -21.913 -1.262 1.00 0.00 H new ATOM 0 HG SER A 71 -4.057 -20.007 -1.761 1.00 0.00 H new ATOM 1021 N GLY A 72 -4.608 -24.336 1.350 1.00 0.00 N ATOM 1022 CA GLY A 72 -5.587 -25.229 1.946 1.00 0.00 C ATOM 1023 C GLY A 72 -6.862 -24.472 2.322 1.00 0.00 C ATOM 1024 O GLY A 72 -7.904 -25.082 2.556 1.00 0.00 O ATOM 0 H GLY A 72 -3.836 -24.078 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.828 -26.029 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.163 -25.699 2.834 1.00 0.00 H new TER 1028 GLY A 72