USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 9 CYS SG : rot -1:sc= -1.25 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 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=-0.00765 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 10 CYS SG : rot -42:sc= -0.896 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.725 F(o=-1.7!,f=-0.73) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.6!) USER MOD Single : A 37 GLN : amide:sc= -2.47! X(o=-2.5!,f=-2.7) USER MOD Single : A 41 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.056) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -162:sc= -0.0421 (180deg=-0.395) USER MOD Single : A 48 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.13) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 51 SER OG : rot 37:sc= 0.0276 USER MOD Single : A 57 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.37) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 26:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.801 -15.596 10.375 1.00 0.00 N ATOM 2 CA GLY A 1 11.357 -15.076 11.655 1.00 0.00 C ATOM 3 C GLY A 1 12.011 -13.753 12.002 1.00 0.00 C ATOM 4 O GLY A 1 13.059 -13.722 12.647 1.00 0.00 O ATOM 0 H1 GLY A 1 11.325 -16.501 10.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.566 -14.916 9.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.830 -15.744 10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.275 -14.949 11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.579 -15.803 12.436 1.00 0.00 H new ATOM 8 N SER A 2 11.392 -12.658 11.573 1.00 0.00 N ATOM 9 CA SER A 2 11.924 -11.327 11.837 1.00 0.00 C ATOM 10 C SER A 2 10.805 -10.360 12.214 1.00 0.00 C ATOM 11 O SER A 2 9.650 -10.551 11.832 1.00 0.00 O ATOM 12 CB SER A 2 12.676 -10.802 10.613 1.00 0.00 C ATOM 13 OG SER A 2 13.830 -11.581 10.351 1.00 0.00 O ATOM 0 H SER A 2 10.522 -12.667 11.041 1.00 0.00 H new ATOM 0 HA SER A 2 12.617 -11.400 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.018 -10.817 9.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.964 -9.764 10.777 1.00 0.00 H new ATOM 0 HG SER A 2 14.292 -11.226 9.563 1.00 0.00 H new ATOM 19 N SER A 3 11.156 -9.321 12.965 1.00 0.00 N ATOM 20 CA SER A 3 10.182 -8.326 13.397 1.00 0.00 C ATOM 21 C SER A 3 10.841 -6.961 13.569 1.00 0.00 C ATOM 22 O SER A 3 11.705 -6.779 14.426 1.00 0.00 O ATOM 23 CB SER A 3 9.528 -8.758 14.710 1.00 0.00 C ATOM 24 OG SER A 3 8.854 -9.996 14.561 1.00 0.00 O ATOM 0 H SER A 3 12.108 -9.147 13.287 1.00 0.00 H new ATOM 0 HA SER A 3 9.415 -8.246 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.288 -8.845 15.487 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.823 -7.994 15.038 1.00 0.00 H new ATOM 0 HG SER A 3 8.446 -10.251 15.415 1.00 0.00 H new ATOM 30 N GLY A 4 10.426 -6.002 12.747 1.00 0.00 N ATOM 31 CA GLY A 4 10.985 -4.665 12.823 1.00 0.00 C ATOM 32 C GLY A 4 10.713 -3.850 11.574 1.00 0.00 C ATOM 33 O GLY A 4 11.611 -3.625 10.764 1.00 0.00 O ATOM 0 H GLY A 4 9.712 -6.127 12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.568 -4.149 13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.061 -4.733 12.981 1.00 0.00 H new ATOM 37 N SER A 5 9.469 -3.408 11.417 1.00 0.00 N ATOM 38 CA SER A 5 9.080 -2.619 10.255 1.00 0.00 C ATOM 39 C SER A 5 9.592 -1.187 10.374 1.00 0.00 C ATOM 40 O SER A 5 9.318 -0.497 11.356 1.00 0.00 O ATOM 41 CB SER A 5 7.557 -2.616 10.100 1.00 0.00 C ATOM 42 OG SER A 5 7.042 -3.936 10.108 1.00 0.00 O ATOM 0 H SER A 5 8.714 -3.583 12.080 1.00 0.00 H new ATOM 0 HA SER A 5 9.528 -3.075 9.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.107 -2.042 10.910 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.284 -2.121 9.168 1.00 0.00 H new ATOM 0 HG SER A 5 6.067 -3.908 10.009 1.00 0.00 H new ATOM 48 N SER A 6 10.339 -0.746 9.367 1.00 0.00 N ATOM 49 CA SER A 6 10.895 0.602 9.359 1.00 0.00 C ATOM 50 C SER A 6 10.160 1.486 8.356 1.00 0.00 C ATOM 51 O SER A 6 10.039 1.143 7.181 1.00 0.00 O ATOM 52 CB SER A 6 12.387 0.560 9.023 1.00 0.00 C ATOM 53 OG SER A 6 13.120 -0.100 10.041 1.00 0.00 O ATOM 0 H SER A 6 10.573 -1.303 8.545 1.00 0.00 H new ATOM 0 HA SER A 6 10.767 1.027 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.535 0.047 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.764 1.575 8.899 1.00 0.00 H new ATOM 0 HG SER A 6 14.070 -0.115 9.802 1.00 0.00 H new ATOM 59 N GLY A 7 9.672 2.629 8.830 1.00 0.00 N ATOM 60 CA GLY A 7 8.956 3.545 7.962 1.00 0.00 C ATOM 61 C GLY A 7 7.479 3.218 7.866 1.00 0.00 C ATOM 62 O GLY A 7 6.998 2.242 8.443 1.00 0.00 O ATOM 0 H GLY A 7 9.760 2.936 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.076 4.562 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.397 3.516 6.966 1.00 0.00 H new ATOM 66 N PRO A 8 6.731 4.049 7.124 1.00 0.00 N ATOM 67 CA PRO A 8 5.289 3.864 6.939 1.00 0.00 C ATOM 68 C PRO A 8 4.967 2.648 6.077 1.00 0.00 C ATOM 69 O PRO A 8 5.419 2.546 4.937 1.00 0.00 O ATOM 70 CB PRO A 8 4.855 5.150 6.231 1.00 0.00 C ATOM 71 CG PRO A 8 6.081 5.632 5.535 1.00 0.00 C ATOM 72 CD PRO A 8 7.237 5.233 6.409 1.00 0.00 C ATOM 0 HA PRO A 8 4.776 3.687 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.048 4.959 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.488 5.889 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.168 5.186 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.052 6.713 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.124 4.998 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.514 6.031 7.098 1.00 0.00 H new ATOM 80 N CYS A 9 4.183 1.729 6.630 1.00 0.00 N ATOM 81 CA CYS A 9 3.800 0.518 5.911 1.00 0.00 C ATOM 82 C CYS A 9 2.347 0.154 6.196 1.00 0.00 C ATOM 83 O CYS A 9 1.756 0.627 7.168 1.00 0.00 O ATOM 84 CB CYS A 9 4.716 -0.643 6.303 1.00 0.00 C ATOM 85 SG CYS A 9 6.442 -0.417 5.816 1.00 0.00 S ATOM 0 H CYS A 9 3.800 1.799 7.573 1.00 0.00 H new ATOM 0 HA CYS A 9 3.905 0.710 4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.669 -0.780 7.383 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.338 -1.559 5.849 1.00 0.00 H new ATOM 0 HG CYS A 9 6.572 0.716 5.193 1.00 0.00 H new ATOM 91 N CYS A 10 1.776 -0.688 5.342 1.00 0.00 N ATOM 92 CA CYS A 10 0.390 -1.114 5.500 1.00 0.00 C ATOM 93 C CYS A 10 0.292 -2.635 5.555 1.00 0.00 C ATOM 94 O CYS A 10 1.281 -3.339 5.349 1.00 0.00 O ATOM 95 CB CYS A 10 -0.465 -0.578 4.350 1.00 0.00 C ATOM 96 SG CYS A 10 -0.005 -1.223 2.725 1.00 0.00 S ATOM 0 H CYS A 10 2.251 -1.089 4.533 1.00 0.00 H new ATOM 0 HA CYS A 10 0.017 -0.709 6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.509 -0.822 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.390 0.509 4.332 1.00 0.00 H new ATOM 0 HG CYS A 10 1.290 -1.239 2.615 1.00 0.00 H new ATOM 102 N ARG A 11 -0.907 -3.136 5.837 1.00 0.00 N ATOM 103 CA ARG A 11 -1.133 -4.574 5.923 1.00 0.00 C ATOM 104 C ARG A 11 -2.303 -4.993 5.038 1.00 0.00 C ATOM 105 O ARG A 11 -3.356 -4.356 5.040 1.00 0.00 O ATOM 106 CB ARG A 11 -1.403 -4.983 7.372 1.00 0.00 C ATOM 107 CG ARG A 11 -1.681 -6.468 7.544 1.00 0.00 C ATOM 108 CD ARG A 11 -1.486 -6.908 8.986 1.00 0.00 C ATOM 109 NE ARG A 11 -2.234 -8.123 9.294 1.00 0.00 N ATOM 110 CZ ARG A 11 -2.442 -8.565 10.529 1.00 0.00 C ATOM 111 NH1 ARG A 11 -1.961 -7.895 11.567 1.00 0.00 N ATOM 112 NH2 ARG A 11 -3.134 -9.680 10.728 1.00 0.00 N ATOM 0 H ARG A 11 -1.736 -2.568 6.010 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.234 -5.080 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.543 -4.710 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.255 -4.417 7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.702 -6.687 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.019 -7.041 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.426 -7.078 9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.803 -6.108 9.655 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.618 -8.662 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.429 -7.037 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.123 -8.237 12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.506 -10.198 9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.293 -10.019 11.677 1.00 0.00 H new ATOM 126 N ALA A 12 -2.111 -6.070 4.283 1.00 0.00 N ATOM 127 CA ALA A 12 -3.150 -6.575 3.394 1.00 0.00 C ATOM 128 C ALA A 12 -4.177 -7.399 4.164 1.00 0.00 C ATOM 129 O ALA A 12 -3.821 -8.240 4.990 1.00 0.00 O ATOM 130 CB ALA A 12 -2.532 -7.406 2.279 1.00 0.00 C ATOM 0 H ALA A 12 -1.245 -6.609 4.269 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.664 -5.721 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.319 -7.777 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.842 -6.788 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.992 -8.249 2.710 1.00 0.00 H new ATOM 136 N LEU A 13 -5.453 -7.151 3.888 1.00 0.00 N ATOM 137 CA LEU A 13 -6.533 -7.869 4.555 1.00 0.00 C ATOM 138 C LEU A 13 -6.979 -9.072 3.729 1.00 0.00 C ATOM 139 O LEU A 13 -7.301 -10.127 4.275 1.00 0.00 O ATOM 140 CB LEU A 13 -7.719 -6.935 4.799 1.00 0.00 C ATOM 141 CG LEU A 13 -7.454 -5.738 5.712 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.538 -4.684 5.540 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.368 -6.184 7.165 1.00 0.00 C ATOM 0 H LEU A 13 -5.765 -6.458 3.207 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.159 -8.229 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.066 -6.562 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.534 -7.519 5.227 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.498 -5.296 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.332 -3.840 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.552 -4.342 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.507 -5.114 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.179 -5.319 7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.308 -6.651 7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.555 -6.902 7.278 1.00 0.00 H new ATOM 155 N TYR A 14 -6.993 -8.905 2.412 1.00 0.00 N ATOM 156 CA TYR A 14 -7.399 -9.976 1.510 1.00 0.00 C ATOM 157 C TYR A 14 -6.375 -10.169 0.396 1.00 0.00 C ATOM 158 O TYR A 14 -5.324 -9.528 0.387 1.00 0.00 O ATOM 159 CB TYR A 14 -8.772 -9.671 0.908 1.00 0.00 C ATOM 160 CG TYR A 14 -9.907 -9.779 1.902 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.024 -8.877 2.952 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.860 -10.784 1.793 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.059 -8.972 3.864 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.898 -10.886 2.698 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.993 -9.978 3.732 1.00 0.00 C ATOM 166 OH TYR A 14 -13.025 -10.077 4.637 1.00 0.00 O ATOM 0 H TYR A 14 -6.728 -8.038 1.945 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.459 -10.899 2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.761 -8.664 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.958 -10.357 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.294 -8.088 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.788 -11.498 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.135 -8.263 4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.631 -11.672 2.597 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.595 -10.839 4.401 1.00 0.00 H new ATOM 176 N ASP A 15 -6.690 -11.055 -0.542 1.00 0.00 N ATOM 177 CA ASP A 15 -5.799 -11.332 -1.662 1.00 0.00 C ATOM 178 C ASP A 15 -6.272 -10.615 -2.923 1.00 0.00 C ATOM 179 O ASP A 15 -7.457 -10.639 -3.256 1.00 0.00 O ATOM 180 CB ASP A 15 -5.719 -12.838 -1.918 1.00 0.00 C ATOM 181 CG ASP A 15 -7.013 -13.401 -2.474 1.00 0.00 C ATOM 182 OD1 ASP A 15 -7.169 -13.416 -3.712 1.00 0.00 O ATOM 183 OD2 ASP A 15 -7.869 -13.825 -1.670 1.00 0.00 O ATOM 0 H ASP A 15 -7.556 -11.594 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.807 -10.961 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.908 -13.042 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.474 -13.349 -0.987 1.00 0.00 H new ATOM 188 N PHE A 16 -5.338 -9.975 -3.619 1.00 0.00 N ATOM 189 CA PHE A 16 -5.660 -9.248 -4.842 1.00 0.00 C ATOM 190 C PHE A 16 -4.698 -9.622 -5.965 1.00 0.00 C ATOM 191 O PHE A 16 -3.490 -9.727 -5.753 1.00 0.00 O ATOM 192 CB PHE A 16 -5.608 -7.739 -4.592 1.00 0.00 C ATOM 193 CG PHE A 16 -5.875 -6.919 -5.821 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.056 -7.073 -6.530 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.946 -5.994 -6.268 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.304 -6.319 -7.662 1.00 0.00 C ATOM 197 CE2 PHE A 16 -5.188 -5.237 -7.399 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.369 -5.400 -8.096 1.00 0.00 C ATOM 0 H PHE A 16 -4.353 -9.945 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.670 -9.524 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.339 -7.480 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.626 -7.478 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.791 -7.790 -6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.021 -5.863 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.228 -6.449 -8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.455 -4.519 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.561 -4.809 -8.980 1.00 0.00 H new ATOM 208 N GLU A 17 -5.243 -9.823 -7.161 1.00 0.00 N ATOM 209 CA GLU A 17 -4.433 -10.187 -8.318 1.00 0.00 C ATOM 210 C GLU A 17 -4.583 -9.156 -9.433 1.00 0.00 C ATOM 211 O GLU A 17 -5.681 -8.693 -9.742 1.00 0.00 O ATOM 212 CB GLU A 17 -4.832 -11.572 -8.832 1.00 0.00 C ATOM 213 CG GLU A 17 -4.072 -12.709 -8.170 1.00 0.00 C ATOM 214 CD GLU A 17 -4.479 -14.069 -8.701 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.620 -14.206 -9.935 1.00 0.00 O ATOM 216 OE2 GLU A 17 -4.657 -14.997 -7.884 1.00 0.00 O ATOM 0 H GLU A 17 -6.241 -9.740 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.389 -10.210 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.900 -11.717 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.665 -11.613 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.003 -12.567 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.243 -12.677 -7.094 1.00 0.00 H new ATOM 223 N PRO A 18 -3.452 -8.785 -10.051 1.00 0.00 N ATOM 224 CA PRO A 18 -3.430 -7.805 -11.141 1.00 0.00 C ATOM 225 C PRO A 18 -4.067 -8.343 -12.418 1.00 0.00 C ATOM 226 O PRO A 18 -3.643 -9.369 -12.949 1.00 0.00 O ATOM 227 CB PRO A 18 -1.936 -7.548 -11.357 1.00 0.00 C ATOM 228 CG PRO A 18 -1.265 -8.785 -10.871 1.00 0.00 C ATOM 229 CD PRO A 18 -2.107 -9.295 -9.735 1.00 0.00 C ATOM 0 HA PRO A 18 -4.000 -6.909 -10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.714 -7.364 -12.408 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.601 -6.672 -10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.192 -9.527 -11.666 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.249 -8.573 -10.539 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.092 -10.384 -9.681 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.752 -8.924 -8.774 1.00 0.00 H new ATOM 237 N GLU A 19 -5.088 -7.644 -12.905 1.00 0.00 N ATOM 238 CA GLU A 19 -5.783 -8.053 -14.119 1.00 0.00 C ATOM 239 C GLU A 19 -5.325 -7.222 -15.314 1.00 0.00 C ATOM 240 O GLU A 19 -5.327 -7.696 -16.450 1.00 0.00 O ATOM 241 CB GLU A 19 -7.296 -7.915 -13.938 1.00 0.00 C ATOM 242 CG GLU A 19 -7.736 -6.517 -13.537 1.00 0.00 C ATOM 243 CD GLU A 19 -7.582 -6.260 -12.051 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.012 -7.120 -11.253 1.00 0.00 O ATOM 245 OE2 GLU A 19 -7.032 -5.201 -11.685 1.00 0.00 O ATOM 0 H GLU A 19 -5.451 -6.792 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.541 -9.098 -14.311 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.791 -8.190 -14.869 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.629 -8.623 -13.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.151 -5.783 -14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.779 -6.373 -13.821 1.00 0.00 H new ATOM 252 N ASN A 20 -4.934 -5.980 -15.049 1.00 0.00 N ATOM 253 CA ASN A 20 -4.474 -5.082 -16.103 1.00 0.00 C ATOM 254 C ASN A 20 -3.233 -4.314 -15.659 1.00 0.00 C ATOM 255 O ASN A 20 -3.092 -3.967 -14.487 1.00 0.00 O ATOM 256 CB ASN A 20 -5.584 -4.102 -16.486 1.00 0.00 C ATOM 257 CG ASN A 20 -6.914 -4.795 -16.715 1.00 0.00 C ATOM 258 OD1 ASN A 20 -7.891 -4.494 -15.867 1.00 0.00 O flip ATOM 259 ND2 ASN A 20 -7.060 -5.591 -17.642 1.00 0.00 N flip ATOM 0 H ASN A 20 -4.926 -5.572 -14.114 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.215 -5.685 -16.973 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.696 -3.358 -15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.296 -3.567 -17.391 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.281 -5.792 -18.269 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.960 -6.050 -17.783 1.00 0.00 H new ATOM 266 N GLU A 21 -2.337 -4.052 -16.606 1.00 0.00 N ATOM 267 CA GLU A 21 -1.107 -3.325 -16.312 1.00 0.00 C ATOM 268 C GLU A 21 -1.380 -2.149 -15.378 1.00 0.00 C ATOM 269 O GLU A 21 -2.518 -1.701 -15.243 1.00 0.00 O ATOM 270 CB GLU A 21 -0.463 -2.823 -17.606 1.00 0.00 C ATOM 271 CG GLU A 21 -1.213 -1.670 -18.252 1.00 0.00 C ATOM 272 CD GLU A 21 -2.585 -2.076 -18.755 1.00 0.00 C ATOM 273 OE1 GLU A 21 -2.654 -2.922 -19.671 1.00 0.00 O ATOM 274 OE2 GLU A 21 -3.589 -1.547 -18.234 1.00 0.00 O ATOM 0 H GLU A 21 -2.440 -4.332 -17.582 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.421 -4.010 -15.815 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.559 -2.508 -17.395 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.402 -3.648 -18.315 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.320 -0.861 -17.530 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.626 -1.280 -19.083 1.00 0.00 H new ATOM 281 N GLY A 22 -0.327 -1.654 -14.735 1.00 0.00 N ATOM 282 CA GLY A 22 -0.473 -0.535 -13.822 1.00 0.00 C ATOM 283 C GLY A 22 -1.137 -0.934 -12.519 1.00 0.00 C ATOM 284 O GLY A 22 -2.058 -0.263 -12.054 1.00 0.00 O ATOM 0 H GLY A 22 0.625 -2.008 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.509 -0.111 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.061 0.247 -14.302 1.00 0.00 H new ATOM 288 N GLU A 23 -0.669 -2.030 -11.929 1.00 0.00 N ATOM 289 CA GLU A 23 -1.227 -2.517 -10.673 1.00 0.00 C ATOM 290 C GLU A 23 -0.202 -3.355 -9.912 1.00 0.00 C ATOM 291 O GLU A 23 0.568 -4.108 -10.510 1.00 0.00 O ATOM 292 CB GLU A 23 -2.485 -3.346 -10.935 1.00 0.00 C ATOM 293 CG GLU A 23 -3.628 -2.545 -11.537 1.00 0.00 C ATOM 294 CD GLU A 23 -4.861 -3.389 -11.793 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.808 -4.263 -12.684 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.879 -3.175 -11.103 1.00 0.00 O ATOM 0 H GLU A 23 0.094 -2.596 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.491 -1.653 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.235 -4.168 -11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.819 -3.791 -9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.886 -1.726 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.298 -2.097 -12.474 1.00 0.00 H new ATOM 303 N LEU A 24 -0.199 -3.217 -8.591 1.00 0.00 N ATOM 304 CA LEU A 24 0.731 -3.960 -7.747 1.00 0.00 C ATOM 305 C LEU A 24 -0.002 -5.020 -6.932 1.00 0.00 C ATOM 306 O LEU A 24 -0.564 -4.729 -5.877 1.00 0.00 O ATOM 307 CB LEU A 24 1.475 -3.005 -6.811 1.00 0.00 C ATOM 308 CG LEU A 24 2.480 -3.650 -5.856 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.765 -4.000 -6.590 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.769 -2.725 -4.682 1.00 0.00 C ATOM 0 H LEU A 24 -0.829 -2.598 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 24 1.452 -4.460 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.002 -2.269 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.739 -2.461 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 24 2.045 -4.571 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.468 -4.458 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.544 -4.700 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.205 -3.094 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.486 -3.200 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.184 -1.787 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.845 -2.525 -4.140 1.00 0.00 H new ATOM 322 N GLY A 25 0.009 -6.254 -7.429 1.00 0.00 N ATOM 323 CA GLY A 25 -0.656 -7.340 -6.733 1.00 0.00 C ATOM 324 C GLY A 25 -0.058 -7.604 -5.365 1.00 0.00 C ATOM 325 O GLY A 25 1.156 -7.753 -5.229 1.00 0.00 O ATOM 0 H GLY A 25 0.467 -6.520 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.714 -7.103 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.592 -8.246 -7.335 1.00 0.00 H new ATOM 329 N PHE A 26 -0.913 -7.662 -4.349 1.00 0.00 N ATOM 330 CA PHE A 26 -0.461 -7.908 -2.984 1.00 0.00 C ATOM 331 C PHE A 26 -1.040 -9.214 -2.447 1.00 0.00 C ATOM 332 O PHE A 26 -1.794 -9.902 -3.135 1.00 0.00 O ATOM 333 CB PHE A 26 -0.864 -6.746 -2.074 1.00 0.00 C ATOM 334 CG PHE A 26 -2.330 -6.425 -2.125 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.272 -7.361 -1.729 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.767 -5.187 -2.569 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.622 -7.069 -1.774 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.116 -4.889 -2.615 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.045 -5.832 -2.219 1.00 0.00 C ATOM 0 H PHE A 26 -1.921 -7.542 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 26 0.626 -7.991 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.589 -6.987 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.296 -5.860 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.947 -8.330 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.046 -4.447 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.345 -7.807 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.444 -3.920 -2.960 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.100 -5.602 -2.257 1.00 0.00 H new ATOM 349 N LYS A 27 -0.682 -9.549 -1.212 1.00 0.00 N ATOM 350 CA LYS A 27 -1.165 -10.771 -0.580 1.00 0.00 C ATOM 351 C LYS A 27 -1.633 -10.497 0.846 1.00 0.00 C ATOM 352 O LYS A 27 -1.085 -9.637 1.534 1.00 0.00 O ATOM 353 CB LYS A 27 -0.065 -11.835 -0.572 1.00 0.00 C ATOM 354 CG LYS A 27 -0.593 -13.257 -0.636 1.00 0.00 C ATOM 355 CD LYS A 27 -0.839 -13.824 0.753 1.00 0.00 C ATOM 356 CE LYS A 27 0.405 -14.501 1.307 1.00 0.00 C ATOM 357 NZ LYS A 27 0.475 -15.937 0.918 1.00 0.00 N ATOM 0 H LYS A 27 -0.059 -8.991 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.013 -11.139 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.599 -11.665 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.534 -11.719 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.521 -13.276 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.121 -13.888 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.148 -13.023 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.658 -14.542 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.293 -13.983 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.410 -14.419 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.337 -16.363 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.359 -16.437 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.496 -16.015 -0.119 1.00 0.00 H new ATOM 371 N GLU A 28 -2.648 -11.236 1.283 1.00 0.00 N ATOM 372 CA GLU A 28 -3.187 -11.072 2.628 1.00 0.00 C ATOM 373 C GLU A 28 -2.080 -11.165 3.674 1.00 0.00 C ATOM 374 O GLU A 28 -1.365 -12.163 3.750 1.00 0.00 O ATOM 375 CB GLU A 28 -4.256 -12.132 2.905 1.00 0.00 C ATOM 376 CG GLU A 28 -4.709 -12.175 4.355 1.00 0.00 C ATOM 377 CD GLU A 28 -6.130 -12.682 4.507 1.00 0.00 C ATOM 378 OE1 GLU A 28 -6.940 -12.464 3.582 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.431 -13.296 5.552 1.00 0.00 O ATOM 0 H GLU A 28 -3.113 -11.953 0.726 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.640 -10.083 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.120 -11.940 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.866 -13.111 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.036 -12.816 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.636 -11.176 4.785 1.00 0.00 H new ATOM 386 N GLY A 29 -1.945 -10.115 4.479 1.00 0.00 N ATOM 387 CA GLY A 29 -0.923 -10.097 5.509 1.00 0.00 C ATOM 388 C GLY A 29 0.362 -9.443 5.040 1.00 0.00 C ATOM 389 O GLY A 29 0.995 -8.697 5.787 1.00 0.00 O ATOM 0 H GLY A 29 -2.525 -9.277 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.301 -9.564 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.713 -11.119 5.826 1.00 0.00 H new ATOM 393 N ASP A 30 0.748 -9.724 3.800 1.00 0.00 N ATOM 394 CA ASP A 30 1.966 -9.158 3.233 1.00 0.00 C ATOM 395 C ASP A 30 2.015 -7.648 3.446 1.00 0.00 C ATOM 396 O ASP A 30 1.168 -6.912 2.938 1.00 0.00 O ATOM 397 CB ASP A 30 2.055 -9.477 1.739 1.00 0.00 C ATOM 398 CG ASP A 30 2.469 -10.912 1.478 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.866 -11.823 2.083 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.395 -11.124 0.667 1.00 0.00 O ATOM 0 H ASP A 30 0.235 -10.340 3.169 1.00 0.00 H new ATOM 0 HA ASP A 30 2.817 -9.607 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.088 -9.290 1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.772 -8.804 1.269 1.00 0.00 H new ATOM 405 N ILE A 31 3.010 -7.194 4.201 1.00 0.00 N ATOM 406 CA ILE A 31 3.168 -5.772 4.481 1.00 0.00 C ATOM 407 C ILE A 31 3.761 -5.039 3.283 1.00 0.00 C ATOM 408 O ILE A 31 4.884 -5.321 2.864 1.00 0.00 O ATOM 409 CB ILE A 31 4.067 -5.538 5.710 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.554 -6.343 6.905 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.125 -4.055 6.048 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.206 -5.881 7.412 1.00 0.00 C ATOM 0 H ILE A 31 3.718 -7.790 4.629 1.00 0.00 H new ATOM 0 HA ILE A 31 2.173 -5.378 4.688 1.00 0.00 H new ATOM 0 HB ILE A 31 5.076 -5.877 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.486 -7.394 6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.280 -6.277 7.715 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.764 -3.905 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.532 -3.504 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.121 -3.692 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.905 -6.497 8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.273 -4.839 7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.467 -5.973 6.616 1.00 0.00 H new ATOM 424 N ILE A 32 3.001 -4.095 2.739 1.00 0.00 N ATOM 425 CA ILE A 32 3.453 -3.318 1.591 1.00 0.00 C ATOM 426 C ILE A 32 4.021 -1.972 2.028 1.00 0.00 C ATOM 427 O ILE A 32 3.298 -1.114 2.534 1.00 0.00 O ATOM 428 CB ILE A 32 2.309 -3.078 0.588 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.644 -4.404 0.213 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.833 -2.372 -0.653 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.180 -4.266 -0.142 1.00 0.00 C ATOM 0 H ILE A 32 2.070 -3.849 3.074 1.00 0.00 H new ATOM 0 HA ILE A 32 4.236 -3.900 1.105 1.00 0.00 H new ATOM 0 HB ILE A 32 1.561 -2.439 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.175 -4.841 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.744 -5.100 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.013 -2.209 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.265 -1.412 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.597 -2.988 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.226 -5.245 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.364 -3.858 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.074 -3.596 -0.995 1.00 0.00 H new ATOM 443 N THR A 33 5.323 -1.793 1.827 1.00 0.00 N ATOM 444 CA THR A 33 5.990 -0.551 2.199 1.00 0.00 C ATOM 445 C THR A 33 5.336 0.648 1.524 1.00 0.00 C ATOM 446 O THR A 33 4.626 0.502 0.527 1.00 0.00 O ATOM 447 CB THR A 33 7.485 -0.583 1.827 1.00 0.00 C ATOM 448 OG1 THR A 33 8.100 -1.756 2.371 1.00 0.00 O ATOM 449 CG2 THR A 33 8.198 0.657 2.346 1.00 0.00 C ATOM 0 H THR A 33 5.936 -2.492 1.409 1.00 0.00 H new ATOM 0 HA THR A 33 5.894 -0.453 3.280 1.00 0.00 H new ATOM 0 HB THR A 33 7.566 -0.602 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.049 -1.770 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.252 0.612 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.746 1.547 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.107 0.701 3.431 1.00 0.00 H new ATOM 457 N LEU A 34 5.578 1.834 2.070 1.00 0.00 N ATOM 458 CA LEU A 34 5.013 3.061 1.519 1.00 0.00 C ATOM 459 C LEU A 34 6.104 4.093 1.254 1.00 0.00 C ATOM 460 O LEU A 34 6.959 4.342 2.105 1.00 0.00 O ATOM 461 CB LEU A 34 3.969 3.640 2.477 1.00 0.00 C ATOM 462 CG LEU A 34 2.740 2.768 2.737 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.015 3.229 3.991 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.805 2.794 1.537 1.00 0.00 C ATOM 0 H LEU A 34 6.162 1.973 2.895 1.00 0.00 H new ATOM 0 HA LEU A 34 4.533 2.817 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.454 3.843 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.633 4.598 2.080 1.00 0.00 H new ATOM 0 HG LEU A 34 3.072 1.741 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.143 2.597 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.687 3.158 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.695 4.263 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.936 2.168 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.480 3.818 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.329 2.415 0.659 1.00 0.00 H new ATOM 476 N THR A 35 6.068 4.693 0.068 1.00 0.00 N ATOM 477 CA THR A 35 7.053 5.699 -0.309 1.00 0.00 C ATOM 478 C THR A 35 6.376 6.975 -0.796 1.00 0.00 C ATOM 479 O THR A 35 6.817 8.081 -0.483 1.00 0.00 O ATOM 480 CB THR A 35 7.995 5.178 -1.411 1.00 0.00 C ATOM 481 OG1 THR A 35 8.864 6.228 -1.850 1.00 0.00 O ATOM 482 CG2 THR A 35 7.200 4.643 -2.593 1.00 0.00 C ATOM 0 H THR A 35 5.367 4.500 -0.648 1.00 0.00 H new ATOM 0 HA THR A 35 7.638 5.919 0.584 1.00 0.00 H new ATOM 0 HB THR A 35 8.590 4.365 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.460 5.888 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.886 4.281 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.561 3.824 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.583 5.440 -3.007 1.00 0.00 H new ATOM 490 N ASN A 36 5.303 6.815 -1.563 1.00 0.00 N ATOM 491 CA ASN A 36 4.565 7.955 -2.094 1.00 0.00 C ATOM 492 C ASN A 36 3.154 7.547 -2.505 1.00 0.00 C ATOM 493 O ASN A 36 2.810 6.365 -2.488 1.00 0.00 O ATOM 494 CB ASN A 36 5.304 8.555 -3.292 1.00 0.00 C ATOM 495 CG ASN A 36 5.002 10.029 -3.479 1.00 0.00 C ATOM 496 OD1 ASN A 36 4.834 10.768 -2.509 1.00 0.00 O ATOM 497 ND2 ASN A 36 4.930 10.464 -4.732 1.00 0.00 N ATOM 0 H ASN A 36 4.925 5.906 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 36 4.492 8.706 -1.307 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.377 8.421 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.026 8.013 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.729 11.446 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.076 9.816 -5.506 1.00 0.00 H new ATOM 504 N GLN A 37 2.342 8.533 -2.874 1.00 0.00 N ATOM 505 CA GLN A 37 0.968 8.275 -3.289 1.00 0.00 C ATOM 506 C GLN A 37 0.680 8.916 -4.642 1.00 0.00 C ATOM 507 O GLN A 37 1.128 10.029 -4.921 1.00 0.00 O ATOM 508 CB GLN A 37 -0.011 8.805 -2.241 1.00 0.00 C ATOM 509 CG GLN A 37 -1.463 8.766 -2.690 1.00 0.00 C ATOM 510 CD GLN A 37 -2.298 9.864 -2.061 1.00 0.00 C ATOM 511 OE1 GLN A 37 -1.824 10.982 -1.858 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.550 9.550 -1.748 1.00 0.00 N ATOM 0 H GLN A 37 2.612 9.517 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 37 0.839 7.197 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.094 8.219 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.256 9.832 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.506 8.858 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.892 7.797 -2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.902 8.611 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.160 10.248 -1.322 1.00 0.00 H new ATOM 521 N ILE A 38 -0.071 8.208 -5.479 1.00 0.00 N ATOM 522 CA ILE A 38 -0.420 8.709 -6.802 1.00 0.00 C ATOM 523 C ILE A 38 -1.902 9.059 -6.885 1.00 0.00 C ATOM 524 O ILE A 38 -2.274 10.113 -7.401 1.00 0.00 O ATOM 525 CB ILE A 38 -0.084 7.682 -7.900 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.428 7.466 -7.981 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.633 8.142 -9.242 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.962 6.521 -6.928 1.00 0.00 C ATOM 0 H ILE A 38 -0.449 7.285 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 38 0.173 9.609 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.554 6.732 -7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.679 7.076 -8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.930 8.428 -7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.387 7.406 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.716 8.248 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.190 9.102 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.040 6.416 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.743 6.919 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.488 5.546 -7.040 1.00 0.00 H new ATOM 540 N ASP A 39 -2.744 8.168 -6.372 1.00 0.00 N ATOM 541 CA ASP A 39 -4.186 8.383 -6.385 1.00 0.00 C ATOM 542 C ASP A 39 -4.691 8.760 -4.995 1.00 0.00 C ATOM 543 O ASP A 39 -3.949 8.695 -4.016 1.00 0.00 O ATOM 544 CB ASP A 39 -4.906 7.128 -6.880 1.00 0.00 C ATOM 545 CG ASP A 39 -4.098 6.367 -7.913 1.00 0.00 C ATOM 546 OD1 ASP A 39 -2.911 6.086 -7.648 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.654 6.053 -8.987 1.00 0.00 O ATOM 0 H ASP A 39 -2.452 7.290 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.400 9.207 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.115 6.475 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.867 7.410 -7.310 1.00 0.00 H new ATOM 552 N GLU A 40 -5.959 9.154 -4.919 1.00 0.00 N ATOM 553 CA GLU A 40 -6.562 9.542 -3.650 1.00 0.00 C ATOM 554 C GLU A 40 -7.021 8.315 -2.867 1.00 0.00 C ATOM 555 O GLU A 40 -7.372 8.411 -1.692 1.00 0.00 O ATOM 556 CB GLU A 40 -7.746 10.481 -3.889 1.00 0.00 C ATOM 557 CG GLU A 40 -7.336 11.890 -4.282 1.00 0.00 C ATOM 558 CD GLU A 40 -6.244 11.908 -5.333 1.00 0.00 C ATOM 559 OE1 GLU A 40 -6.450 11.315 -6.413 1.00 0.00 O ATOM 560 OE2 GLU A 40 -5.182 12.513 -5.077 1.00 0.00 O ATOM 0 H GLU A 40 -6.587 9.213 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.806 10.064 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.377 10.063 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.351 10.527 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.207 12.426 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.992 12.424 -3.397 1.00 0.00 H new ATOM 567 N ASN A 41 -7.016 7.163 -3.529 1.00 0.00 N ATOM 568 CA ASN A 41 -7.433 5.917 -2.896 1.00 0.00 C ATOM 569 C ASN A 41 -6.385 4.827 -3.099 1.00 0.00 C ATOM 570 O ASN A 41 -6.601 3.669 -2.740 1.00 0.00 O ATOM 571 CB ASN A 41 -8.778 5.458 -3.463 1.00 0.00 C ATOM 572 CG ASN A 41 -9.955 6.067 -2.725 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.850 6.650 -3.336 1.00 0.00 O ATOM 574 ND2 ASN A 41 -9.957 5.934 -1.404 1.00 0.00 N ATOM 0 H ASN A 41 -6.728 7.066 -4.503 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.540 6.100 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.835 5.727 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.841 4.371 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.722 6.323 -0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.193 5.442 -0.940 1.00 0.00 H new ATOM 581 N TRP A 42 -5.249 5.205 -3.674 1.00 0.00 N ATOM 582 CA TRP A 42 -4.167 4.260 -3.924 1.00 0.00 C ATOM 583 C TRP A 42 -2.893 4.690 -3.205 1.00 0.00 C ATOM 584 O TRP A 42 -2.777 5.830 -2.755 1.00 0.00 O ATOM 585 CB TRP A 42 -3.904 4.139 -5.426 1.00 0.00 C ATOM 586 CG TRP A 42 -5.083 3.626 -6.195 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.325 4.190 -6.265 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.131 2.444 -7.002 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.142 3.430 -7.067 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.434 2.354 -7.532 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.201 1.455 -7.331 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.826 1.314 -8.370 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.592 0.422 -8.162 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.894 0.358 -8.675 1.00 0.00 C ATOM 0 H TRP A 42 -5.053 6.159 -3.976 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.470 3.287 -3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.621 5.116 -5.818 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.056 3.473 -5.587 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.621 5.100 -5.764 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.118 3.634 -7.281 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.194 1.497 -6.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.830 1.263 -8.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.881 -0.349 -8.420 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.168 -0.461 -9.323 1.00 0.00 H new ATOM 605 N TYR A 43 -1.938 3.772 -3.102 1.00 0.00 N ATOM 606 CA TYR A 43 -0.673 4.056 -2.436 1.00 0.00 C ATOM 607 C TYR A 43 0.500 3.489 -3.230 1.00 0.00 C ATOM 608 O TYR A 43 0.365 2.480 -3.922 1.00 0.00 O ATOM 609 CB TYR A 43 -0.675 3.474 -1.022 1.00 0.00 C ATOM 610 CG TYR A 43 -1.407 4.331 -0.015 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.205 5.705 0.035 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.302 3.767 0.887 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.872 6.492 0.954 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.974 4.547 1.808 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.755 5.908 1.838 1.00 0.00 C ATOM 616 OH TYR A 43 -3.422 6.689 2.754 1.00 0.00 O ATOM 0 H TYR A 43 -2.016 2.825 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.558 5.138 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.133 2.485 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.355 3.340 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.515 6.166 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.475 2.701 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.703 7.558 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.667 4.093 2.501 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.007 6.124 3.301 1.00 0.00 H new ATOM 626 N GLU A 44 1.651 4.146 -3.124 1.00 0.00 N ATOM 627 CA GLU A 44 2.848 3.708 -3.832 1.00 0.00 C ATOM 628 C GLU A 44 3.837 3.051 -2.874 1.00 0.00 C ATOM 629 O GLU A 44 4.185 3.617 -1.839 1.00 0.00 O ATOM 630 CB GLU A 44 3.514 4.893 -4.536 1.00 0.00 C ATOM 631 CG GLU A 44 4.267 4.507 -5.797 1.00 0.00 C ATOM 632 CD GLU A 44 5.070 5.657 -6.373 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.607 6.813 -6.273 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.161 5.402 -6.923 1.00 0.00 O ATOM 0 H GLU A 44 1.780 4.983 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 44 2.548 2.973 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.751 5.629 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.205 5.375 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.937 3.676 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.558 4.154 -6.545 1.00 0.00 H new ATOM 641 N GLY A 45 4.285 1.849 -3.228 1.00 0.00 N ATOM 642 CA GLY A 45 5.228 1.133 -2.389 1.00 0.00 C ATOM 643 C GLY A 45 6.132 0.215 -3.187 1.00 0.00 C ATOM 644 O GLY A 45 6.081 0.197 -4.416 1.00 0.00 O ATOM 0 H GLY A 45 4.012 1.359 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.838 1.850 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.681 0.547 -1.651 1.00 0.00 H new ATOM 648 N MET A 46 6.963 -0.550 -2.486 1.00 0.00 N ATOM 649 CA MET A 46 7.882 -1.476 -3.138 1.00 0.00 C ATOM 650 C MET A 46 7.707 -2.890 -2.594 1.00 0.00 C ATOM 651 O MET A 46 7.994 -3.156 -1.426 1.00 0.00 O ATOM 652 CB MET A 46 9.328 -1.016 -2.940 1.00 0.00 C ATOM 653 CG MET A 46 9.826 -0.087 -4.036 1.00 0.00 C ATOM 654 SD MET A 46 11.464 0.581 -3.689 1.00 0.00 S ATOM 655 CE MET A 46 11.096 1.698 -2.338 1.00 0.00 C ATOM 0 H MET A 46 7.019 -0.547 -1.468 1.00 0.00 H new ATOM 0 HA MET A 46 7.653 -1.486 -4.204 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.411 -0.508 -1.979 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.976 -1.891 -2.895 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.851 -0.628 -4.982 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.121 0.735 -4.158 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.913 2.411 -2.222 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.173 2.236 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.978 1.128 -1.416 1.00 0.00 H new ATOM 665 N LEU A 47 7.236 -3.793 -3.446 1.00 0.00 N ATOM 666 CA LEU A 47 7.022 -5.181 -3.051 1.00 0.00 C ATOM 667 C LEU A 47 7.582 -6.138 -4.098 1.00 0.00 C ATOM 668 O LEU A 47 7.308 -6.000 -5.290 1.00 0.00 O ATOM 669 CB LEU A 47 5.530 -5.449 -2.844 1.00 0.00 C ATOM 670 CG LEU A 47 5.152 -6.881 -2.464 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.415 -7.128 -0.987 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.694 -7.155 -2.802 1.00 0.00 C ATOM 0 H LEU A 47 6.995 -3.589 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 47 7.549 -5.351 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.166 -4.779 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.003 -5.187 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 47 5.773 -7.566 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.140 -8.152 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.473 -6.974 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.821 -6.436 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.442 -8.179 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.057 -6.463 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.537 -7.020 -3.872 1.00 0.00 H new ATOM 684 N HIS A 48 8.367 -7.110 -3.644 1.00 0.00 N ATOM 685 CA HIS A 48 8.964 -8.093 -4.542 1.00 0.00 C ATOM 686 C HIS A 48 9.740 -7.405 -5.661 1.00 0.00 C ATOM 687 O HIS A 48 9.682 -7.821 -6.817 1.00 0.00 O ATOM 688 CB HIS A 48 7.882 -8.995 -5.136 1.00 0.00 C ATOM 689 CG HIS A 48 7.286 -9.948 -4.146 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.026 -10.905 -3.484 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.014 -10.086 -3.705 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.234 -11.592 -2.680 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.008 -11.115 -2.795 1.00 0.00 N ATOM 0 H HIS A 48 8.605 -7.238 -2.660 1.00 0.00 H new ATOM 0 HA HIS A 48 9.658 -8.703 -3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.089 -8.373 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.308 -9.563 -5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.162 -9.497 -4.011 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.538 -12.405 -2.038 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.190 -11.455 -2.290 1.00 0.00 H new ATOM 702 N GLY A 49 10.468 -6.350 -5.308 1.00 0.00 N ATOM 703 CA GLY A 49 11.245 -5.622 -6.293 1.00 0.00 C ATOM 704 C GLY A 49 10.375 -4.958 -7.342 1.00 0.00 C ATOM 705 O GLY A 49 10.839 -4.652 -8.441 1.00 0.00 O ATOM 0 H GLY A 49 10.533 -5.987 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.845 -4.864 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.940 -6.306 -6.781 1.00 0.00 H new ATOM 709 N HIS A 50 9.109 -4.735 -7.004 1.00 0.00 N ATOM 710 CA HIS A 50 8.171 -4.104 -7.926 1.00 0.00 C ATOM 711 C HIS A 50 7.518 -2.884 -7.285 1.00 0.00 C ATOM 712 O HIS A 50 7.046 -2.944 -6.150 1.00 0.00 O ATOM 713 CB HIS A 50 7.098 -5.103 -8.359 1.00 0.00 C ATOM 714 CG HIS A 50 7.654 -6.349 -8.978 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.697 -6.339 -9.881 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.308 -7.647 -8.818 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.966 -7.579 -10.251 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.138 -8.392 -9.620 1.00 0.00 N ATOM 0 H HIS A 50 8.709 -4.982 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 50 8.727 -3.777 -8.804 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.496 -5.375 -7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.430 -4.620 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.525 -8.027 -8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.733 -7.877 -10.951 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.118 -9.408 -9.713 1.00 0.00 H new ATOM 727 N SER A 51 7.495 -1.776 -8.020 1.00 0.00 N ATOM 728 CA SER A 51 6.903 -0.540 -7.521 1.00 0.00 C ATOM 729 C SER A 51 5.632 -0.197 -8.292 1.00 0.00 C ATOM 730 O SER A 51 5.687 0.222 -9.448 1.00 0.00 O ATOM 731 CB SER A 51 7.906 0.610 -7.630 1.00 0.00 C ATOM 732 OG SER A 51 7.447 1.755 -6.932 1.00 0.00 O ATOM 0 H SER A 51 7.879 -1.709 -8.962 1.00 0.00 H new ATOM 0 HA SER A 51 6.642 -0.687 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.869 0.296 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.066 0.859 -8.679 1.00 0.00 H new ATOM 0 HG SER A 51 6.988 1.476 -6.112 1.00 0.00 H new ATOM 738 N GLY A 52 4.486 -0.377 -7.642 1.00 0.00 N ATOM 739 CA GLY A 52 3.217 -0.082 -8.280 1.00 0.00 C ATOM 740 C GLY A 52 2.200 0.489 -7.312 1.00 0.00 C ATOM 741 O GLY A 52 2.463 0.595 -6.114 1.00 0.00 O ATOM 0 H GLY A 52 4.414 -0.722 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.378 0.627 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.818 -0.993 -8.726 1.00 0.00 H new ATOM 745 N PHE A 53 1.034 0.861 -7.831 1.00 0.00 N ATOM 746 CA PHE A 53 -0.025 1.427 -7.005 1.00 0.00 C ATOM 747 C PHE A 53 -1.068 0.369 -6.657 1.00 0.00 C ATOM 748 O PHE A 53 -1.454 -0.439 -7.501 1.00 0.00 O ATOM 749 CB PHE A 53 -0.693 2.599 -7.727 1.00 0.00 C ATOM 750 CG PHE A 53 0.235 3.347 -8.641 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.512 3.690 -8.225 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.169 3.707 -9.917 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.367 4.378 -9.065 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.682 4.396 -10.761 1.00 0.00 C ATOM 755 CZ PHE A 53 1.952 4.731 -10.334 1.00 0.00 C ATOM 0 H PHE A 53 0.799 0.780 -8.820 1.00 0.00 H new ATOM 0 HA PHE A 53 0.424 1.787 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.537 2.225 -8.306 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.096 3.290 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.842 3.417 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.161 3.446 -10.256 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.360 4.640 -8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.354 4.672 -11.752 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.620 5.268 -10.991 1.00 0.00 H new ATOM 765 N PHE A 54 -1.519 0.380 -5.407 1.00 0.00 N ATOM 766 CA PHE A 54 -2.516 -0.579 -4.945 1.00 0.00 C ATOM 767 C PHE A 54 -3.668 0.131 -4.240 1.00 0.00 C ATOM 768 O PHE A 54 -3.525 1.241 -3.726 1.00 0.00 O ATOM 769 CB PHE A 54 -1.875 -1.597 -4.001 1.00 0.00 C ATOM 770 CG PHE A 54 -0.884 -0.991 -3.048 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.350 -0.551 -3.499 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.187 -0.863 -1.702 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.264 0.007 -2.625 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.277 -0.305 -0.824 1.00 0.00 C ATOM 775 CZ PHE A 54 0.950 0.130 -1.286 1.00 0.00 C ATOM 0 H PHE A 54 -1.210 1.042 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.913 -1.101 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.659 -2.094 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.376 -2.365 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.601 -0.645 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.144 -1.203 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.223 0.346 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.525 -0.209 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.662 0.566 -0.601 1.00 0.00 H new ATOM 785 N PRO A 55 -4.839 -0.523 -4.215 1.00 0.00 N ATOM 786 CA PRO A 55 -6.039 0.026 -3.577 1.00 0.00 C ATOM 787 C PRO A 55 -5.918 0.069 -2.057 1.00 0.00 C ATOM 788 O PRO A 55 -5.211 -0.741 -1.458 1.00 0.00 O ATOM 789 CB PRO A 55 -7.142 -0.948 -3.998 1.00 0.00 C ATOM 790 CG PRO A 55 -6.432 -2.229 -4.270 1.00 0.00 C ATOM 791 CD PRO A 55 -5.081 -1.849 -4.808 1.00 0.00 C ATOM 0 HA PRO A 55 -6.225 1.057 -3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.886 -1.067 -3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.668 -0.591 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.337 -2.823 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.982 -2.835 -4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.315 -2.567 -4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.079 -1.809 -5.897 1.00 0.00 H new ATOM 799 N ILE A 56 -6.614 1.018 -1.440 1.00 0.00 N ATOM 800 CA ILE A 56 -6.586 1.165 0.010 1.00 0.00 C ATOM 801 C ILE A 56 -7.771 0.457 0.657 1.00 0.00 C ATOM 802 O ILE A 56 -7.836 0.325 1.879 1.00 0.00 O ATOM 803 CB ILE A 56 -6.598 2.648 0.426 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.344 3.356 -0.091 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.698 2.772 1.939 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.407 4.862 0.031 1.00 0.00 C ATOM 0 H ILE A 56 -7.204 1.696 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.659 0.707 0.356 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.471 3.128 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.477 2.991 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.192 3.090 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.705 3.826 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.618 2.299 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.842 2.280 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.485 5.297 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.254 5.238 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.528 5.137 1.079 1.00 0.00 H new ATOM 818 N ASN A 57 -8.706 0.002 -0.171 1.00 0.00 N ATOM 819 CA ASN A 57 -9.889 -0.694 0.321 1.00 0.00 C ATOM 820 C ASN A 57 -9.580 -2.162 0.600 1.00 0.00 C ATOM 821 O ASN A 57 -10.481 -2.957 0.870 1.00 0.00 O ATOM 822 CB ASN A 57 -11.029 -0.586 -0.694 1.00 0.00 C ATOM 823 CG ASN A 57 -12.384 -0.867 -0.074 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.894 -1.985 -0.152 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.973 0.149 0.546 1.00 0.00 N ATOM 0 H ASN A 57 -8.667 0.103 -1.185 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.196 -0.222 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.032 0.414 -1.128 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.853 -1.287 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.886 0.020 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.513 1.058 0.586 1.00 0.00 H new ATOM 832 N TYR A 58 -8.301 -2.514 0.533 1.00 0.00 N ATOM 833 CA TYR A 58 -7.872 -3.887 0.776 1.00 0.00 C ATOM 834 C TYR A 58 -6.801 -3.939 1.861 1.00 0.00 C ATOM 835 O TYR A 58 -6.658 -4.941 2.562 1.00 0.00 O ATOM 836 CB TYR A 58 -7.339 -4.513 -0.513 1.00 0.00 C ATOM 837 CG TYR A 58 -8.415 -5.132 -1.376 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.076 -6.287 -0.975 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.771 -4.562 -2.592 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.059 -6.856 -1.761 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.754 -5.124 -3.384 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.395 -6.271 -2.964 1.00 0.00 C ATOM 843 OH TYR A 58 -11.374 -6.835 -3.749 1.00 0.00 O ATOM 0 H TYR A 58 -7.543 -1.868 0.313 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.737 -4.456 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.818 -3.749 -1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.604 -5.277 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.817 -6.747 -0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.271 -3.664 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.562 -7.754 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.019 -4.668 -4.326 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.490 -6.300 -4.562 1.00 0.00 H new ATOM 853 N VAL A 59 -6.050 -2.850 1.994 1.00 0.00 N ATOM 854 CA VAL A 59 -4.992 -2.769 2.995 1.00 0.00 C ATOM 855 C VAL A 59 -5.318 -1.724 4.056 1.00 0.00 C ATOM 856 O VAL A 59 -6.097 -0.803 3.814 1.00 0.00 O ATOM 857 CB VAL A 59 -3.636 -2.425 2.351 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.291 -3.429 1.262 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.654 -1.009 1.795 1.00 0.00 C ATOM 0 H VAL A 59 -6.154 -2.012 1.422 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.925 -3.750 3.465 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.865 -2.480 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.330 -3.169 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.233 -4.428 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.062 -3.410 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.688 -0.783 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.436 -0.924 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.851 -0.304 2.602 1.00 0.00 H new ATOM 869 N GLU A 60 -4.715 -1.874 5.231 1.00 0.00 N ATOM 870 CA GLU A 60 -4.943 -0.943 6.330 1.00 0.00 C ATOM 871 C GLU A 60 -3.692 -0.113 6.607 1.00 0.00 C ATOM 872 O GLU A 60 -2.573 -0.626 6.569 1.00 0.00 O ATOM 873 CB GLU A 60 -5.356 -1.701 7.593 1.00 0.00 C ATOM 874 CG GLU A 60 -6.224 -0.885 8.536 1.00 0.00 C ATOM 875 CD GLU A 60 -7.511 -0.416 7.886 1.00 0.00 C ATOM 876 OE1 GLU A 60 -8.514 -1.157 7.956 1.00 0.00 O ATOM 877 OE2 GLU A 60 -7.516 0.690 7.308 1.00 0.00 O ATOM 0 H GLU A 60 -4.066 -2.630 5.446 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.749 -0.269 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.896 -2.603 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.460 -2.022 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.463 -1.485 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.661 -0.019 8.884 1.00 0.00 H new ATOM 884 N ILE A 61 -3.891 1.171 6.886 1.00 0.00 N ATOM 885 CA ILE A 61 -2.780 2.071 7.170 1.00 0.00 C ATOM 886 C ILE A 61 -2.496 2.138 8.667 1.00 0.00 C ATOM 887 O ILE A 61 -3.289 2.682 9.437 1.00 0.00 O ATOM 888 CB ILE A 61 -3.060 3.492 6.648 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.144 3.491 5.120 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.981 4.453 7.123 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.979 2.794 4.452 1.00 0.00 C ATOM 0 H ILE A 61 -4.811 1.611 6.921 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.908 1.669 6.655 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.018 3.826 7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.071 3.005 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.193 4.521 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.193 5.453 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.965 4.472 8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.011 4.123 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.104 2.832 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.050 3.293 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.942 1.754 4.777 1.00 0.00 H new ATOM 903 N LEU A 62 -1.360 1.583 9.073 1.00 0.00 N ATOM 904 CA LEU A 62 -0.969 1.581 10.478 1.00 0.00 C ATOM 905 C LEU A 62 -0.162 2.829 10.821 1.00 0.00 C ATOM 906 O LEU A 62 -0.340 3.424 11.884 1.00 0.00 O ATOM 907 CB LEU A 62 -0.152 0.328 10.799 1.00 0.00 C ATOM 908 CG LEU A 62 -0.761 -1.002 10.354 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.211 -2.145 10.605 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.079 -1.253 11.073 1.00 0.00 C ATOM 0 H LEU A 62 -0.693 1.128 8.449 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.877 1.580 11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.829 0.429 10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.008 0.289 11.876 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.959 -0.949 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.240 -3.083 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.129 -1.972 10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.441 -2.200 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.498 -2.204 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.906 -1.286 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.778 -0.449 10.842 1.00 0.00 H new ATOM 922 N VAL A 63 0.725 3.222 9.912 1.00 0.00 N ATOM 923 CA VAL A 63 1.557 4.402 10.116 1.00 0.00 C ATOM 924 C VAL A 63 1.264 5.469 9.067 1.00 0.00 C ATOM 925 O VAL A 63 1.572 5.296 7.888 1.00 0.00 O ATOM 926 CB VAL A 63 3.055 4.047 10.067 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.904 5.310 10.068 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.427 3.145 11.234 1.00 0.00 C ATOM 0 H VAL A 63 0.886 2.740 9.027 1.00 0.00 H new ATOM 0 HA VAL A 63 1.316 4.793 11.105 1.00 0.00 H new ATOM 0 HB VAL A 63 3.252 3.506 9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.959 5.039 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.656 5.916 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.706 5.881 10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.489 2.904 11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.215 3.658 12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.844 2.226 11.184 1.00 0.00 H new ATOM 938 N ALA A 64 0.669 6.573 9.505 1.00 0.00 N ATOM 939 CA ALA A 64 0.336 7.670 8.605 1.00 0.00 C ATOM 940 C ALA A 64 1.595 8.290 8.006 1.00 0.00 C ATOM 941 O ALA A 64 2.487 8.732 8.732 1.00 0.00 O ATOM 942 CB ALA A 64 -0.477 8.727 9.338 1.00 0.00 C ATOM 0 H ALA A 64 0.407 6.732 10.478 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.264 7.268 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.718 9.540 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.399 8.282 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.103 9.117 10.174 1.00 0.00 H new ATOM 948 N LEU A 65 1.661 8.319 6.680 1.00 0.00 N ATOM 949 CA LEU A 65 2.812 8.884 5.984 1.00 0.00 C ATOM 950 C LEU A 65 3.174 10.253 6.552 1.00 0.00 C ATOM 951 O LEU A 65 2.329 10.977 7.078 1.00 0.00 O ATOM 952 CB LEU A 65 2.519 9.002 4.487 1.00 0.00 C ATOM 953 CG LEU A 65 2.581 7.701 3.686 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.691 7.788 2.457 1.00 0.00 C ATOM 955 CD2 LEU A 65 4.016 7.388 3.287 1.00 0.00 C ATOM 0 H LEU A 65 0.932 7.958 6.065 1.00 0.00 H new ATOM 0 HA LEU A 65 3.659 8.214 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.526 9.434 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.228 9.707 4.053 1.00 0.00 H new ATOM 0 HG LEU A 65 2.216 6.891 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.748 6.853 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.661 7.964 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.025 8.609 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.041 6.459 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.409 8.200 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.628 7.281 4.183 1.00 0.00 H new ATOM 967 N PRO A 66 4.460 10.617 6.443 1.00 0.00 N ATOM 968 CA PRO A 66 4.963 11.902 6.938 1.00 0.00 C ATOM 969 C PRO A 66 4.457 13.080 6.112 1.00 0.00 C ATOM 970 O PRO A 66 4.884 13.282 4.974 1.00 0.00 O ATOM 971 CB PRO A 66 6.481 11.766 6.801 1.00 0.00 C ATOM 972 CG PRO A 66 6.675 10.763 5.716 1.00 0.00 C ATOM 973 CD PRO A 66 5.522 9.804 5.828 1.00 0.00 C ATOM 0 HA PRO A 66 4.630 12.105 7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.942 12.720 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.934 11.432 7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.689 11.244 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.627 10.244 5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.221 9.422 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.775 8.941 6.444 1.00 0.00 H new ATOM 981 N HIS A 67 3.546 13.855 6.691 1.00 0.00 N ATOM 982 CA HIS A 67 2.983 15.014 6.007 1.00 0.00 C ATOM 983 C HIS A 67 2.229 14.590 4.750 1.00 0.00 C ATOM 984 O HIS A 67 2.418 15.164 3.678 1.00 0.00 O ATOM 985 CB HIS A 67 4.089 16.005 5.643 1.00 0.00 C ATOM 986 CG HIS A 67 3.628 17.430 5.605 1.00 0.00 C ATOM 987 ND1 HIS A 67 3.049 18.004 4.493 1.00 0.00 N ATOM 988 CD2 HIS A 67 3.662 18.397 6.551 1.00 0.00 C ATOM 989 CE1 HIS A 67 2.748 19.263 4.757 1.00 0.00 C ATOM 990 NE2 HIS A 67 3.109 19.526 5.999 1.00 0.00 N ATOM 0 H HIS A 67 3.182 13.702 7.631 1.00 0.00 H new ATOM 0 HA HIS A 67 2.280 15.499 6.685 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.900 15.913 6.366 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.498 15.738 4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.052 18.299 7.554 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.285 19.959 4.073 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.996 20.423 6.472 1.00 0.00 H new ATOM 999 N SER A 68 1.374 13.582 4.890 1.00 0.00 N ATOM 1000 CA SER A 68 0.595 13.079 3.765 1.00 0.00 C ATOM 1001 C SER A 68 -0.363 14.147 3.246 1.00 0.00 C ATOM 1002 O SER A 68 -0.433 14.403 2.045 1.00 0.00 O ATOM 1003 CB SER A 68 -0.189 11.831 4.178 1.00 0.00 C ATOM 1004 OG SER A 68 -0.491 11.023 3.054 1.00 0.00 O ATOM 0 H SER A 68 1.203 13.098 5.771 1.00 0.00 H new ATOM 0 HA SER A 68 1.287 12.817 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.392 11.255 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.112 12.126 4.676 1.00 0.00 H new ATOM 0 HG SER A 68 -0.990 10.232 3.345 1.00 0.00 H new ATOM 1010 N GLY A 69 -1.101 14.767 4.163 1.00 0.00 N ATOM 1011 CA GLY A 69 -2.045 15.800 3.780 1.00 0.00 C ATOM 1012 C GLY A 69 -1.483 17.196 3.962 1.00 0.00 C ATOM 1013 O GLY A 69 -0.655 17.445 4.839 1.00 0.00 O ATOM 0 H GLY A 69 -1.061 14.572 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.329 15.659 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.953 15.697 4.375 1.00 0.00 H new ATOM 1017 N PRO A 70 -1.937 18.136 3.119 1.00 0.00 N ATOM 1018 CA PRO A 70 -1.486 19.530 3.171 1.00 0.00 C ATOM 1019 C PRO A 70 -1.995 20.257 4.411 1.00 0.00 C ATOM 1020 O PRO A 70 -2.838 19.740 5.144 1.00 0.00 O ATOM 1021 CB PRO A 70 -2.089 20.144 1.906 1.00 0.00 C ATOM 1022 CG PRO A 70 -3.279 19.301 1.604 1.00 0.00 C ATOM 1023 CD PRO A 70 -2.924 17.910 2.051 1.00 0.00 C ATOM 0 HA PRO A 70 -0.400 19.606 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.372 21.184 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.376 20.132 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.161 19.667 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.512 19.321 0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.797 17.371 2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.505 17.320 1.235 1.00 0.00 H new ATOM 1031 N SER A 71 -1.478 21.460 4.639 1.00 0.00 N ATOM 1032 CA SER A 71 -1.878 22.258 5.793 1.00 0.00 C ATOM 1033 C SER A 71 -2.817 23.385 5.375 1.00 0.00 C ATOM 1034 O SER A 71 -2.599 24.043 4.357 1.00 0.00 O ATOM 1035 CB SER A 71 -0.646 22.837 6.491 1.00 0.00 C ATOM 1036 OG SER A 71 0.169 23.551 5.578 1.00 0.00 O ATOM 0 H SER A 71 -0.781 21.904 4.040 1.00 0.00 H new ATOM 0 HA SER A 71 -2.408 21.607 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.959 23.499 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.069 22.031 6.945 1.00 0.00 H new ATOM 0 HG SER A 71 0.949 23.912 6.049 1.00 0.00 H new ATOM 1042 N SER A 72 -3.861 23.603 6.168 1.00 0.00 N ATOM 1043 CA SER A 72 -4.836 24.648 5.879 1.00 0.00 C ATOM 1044 C SER A 72 -4.907 25.655 7.023 1.00 0.00 C ATOM 1045 O SER A 72 -5.213 25.299 8.160 1.00 0.00 O ATOM 1046 CB SER A 72 -6.216 24.034 5.638 1.00 0.00 C ATOM 1047 OG SER A 72 -6.722 23.435 6.818 1.00 0.00 O ATOM 0 H SER A 72 -4.053 23.070 7.016 1.00 0.00 H new ATOM 0 HA SER A 72 -4.516 25.171 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.905 24.805 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.152 23.287 4.846 1.00 0.00 H new ATOM 0 HG SER A 72 -6.317 23.863 7.601 1.00 0.00 H new ATOM 1053 N GLY A 73 -4.622 26.916 6.711 1.00 0.00 N ATOM 1054 CA GLY A 73 -4.659 27.956 7.722 1.00 0.00 C ATOM 1055 C GLY A 73 -3.328 28.125 8.429 1.00 0.00 C ATOM 1056 O GLY A 73 -2.296 28.313 7.786 1.00 0.00 O ATOM 0 H GLY A 73 -4.366 27.235 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.943 28.900 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.429 27.718 8.456 1.00 0.00 H new TER 1060 GLY A 73