USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=18 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 Single : A 1 GLY N :NH3+ 137:sc= 0.0114 (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 -49:sc= 0.519 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 67:sc= -0.345 USER MOD Single : A 10 CYS SG : rot -90:sc= -1.02 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.633 K(o=-0.63,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0361 (180deg=-0.261) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 35 THR OG1 : rot -45:sc= 0.63 USER MOD Single : A 36 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD Single : A 37 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.7!) USER MOD Single : A 41 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.3) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.15) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.186 F(o=-0.9,f=-0.19) USER MOD Single : A 51 SER OG : rot 34:sc= 0.719 USER MOD Single : A 57 ASN : amide:sc= -1.9! C(o=-1.9!,f=-1.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.035) USER MOD Single : A 68 SER OG : rot 180:sc= -0.16 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.311 -10.595 13.815 1.00 0.00 N ATOM 2 CA GLY A 1 3.304 -9.595 14.164 1.00 0.00 C ATOM 3 C GLY A 1 4.357 -9.423 13.088 1.00 0.00 C ATOM 4 O GLY A 1 4.777 -10.395 12.460 1.00 0.00 O ATOM 0 H1 GLY A 1 2.111 -11.190 14.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.436 -10.123 13.508 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.673 -11.189 13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.808 -8.640 14.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.787 -9.878 15.099 1.00 0.00 H new ATOM 8 N SER A 2 4.785 -8.183 12.872 1.00 0.00 N ATOM 9 CA SER A 2 5.792 -7.887 11.861 1.00 0.00 C ATOM 10 C SER A 2 7.140 -7.584 12.508 1.00 0.00 C ATOM 11 O SER A 2 7.204 -7.136 13.652 1.00 0.00 O ATOM 12 CB SER A 2 5.348 -6.701 11.001 1.00 0.00 C ATOM 13 OG SER A 2 5.024 -5.581 11.806 1.00 0.00 O ATOM 0 H SER A 2 4.449 -7.367 13.384 1.00 0.00 H new ATOM 0 HA SER A 2 5.903 -8.766 11.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.143 -6.435 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.482 -6.985 10.403 1.00 0.00 H new ATOM 0 HG SER A 2 4.745 -4.836 11.233 1.00 0.00 H new ATOM 19 N SER A 3 8.214 -7.833 11.766 1.00 0.00 N ATOM 20 CA SER A 3 9.562 -7.591 12.268 1.00 0.00 C ATOM 21 C SER A 3 10.228 -6.448 11.508 1.00 0.00 C ATOM 22 O SER A 3 10.833 -6.656 10.457 1.00 0.00 O ATOM 23 CB SER A 3 10.409 -8.860 12.149 1.00 0.00 C ATOM 24 OG SER A 3 11.499 -8.832 13.054 1.00 0.00 O ATOM 0 H SER A 3 8.177 -8.202 10.816 1.00 0.00 H new ATOM 0 HA SER A 3 9.487 -7.310 13.319 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.789 -9.735 12.348 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.781 -8.958 11.129 1.00 0.00 H new ATOM 0 HG SER A 3 12.024 -9.654 12.960 1.00 0.00 H new ATOM 30 N GLY A 4 10.112 -5.239 12.049 1.00 0.00 N ATOM 31 CA GLY A 4 10.707 -4.080 11.409 1.00 0.00 C ATOM 32 C GLY A 4 10.222 -2.775 12.007 1.00 0.00 C ATOM 33 O GLY A 4 10.885 -2.194 12.867 1.00 0.00 O ATOM 0 H GLY A 4 9.617 -5.041 12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.792 -4.136 11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.474 -4.097 10.344 1.00 0.00 H new ATOM 37 N SER A 5 9.063 -2.311 11.552 1.00 0.00 N ATOM 38 CA SER A 5 8.492 -1.063 12.044 1.00 0.00 C ATOM 39 C SER A 5 9.490 0.083 11.903 1.00 0.00 C ATOM 40 O SER A 5 9.561 0.967 12.756 1.00 0.00 O ATOM 41 CB SER A 5 8.073 -1.211 13.508 1.00 0.00 C ATOM 42 OG SER A 5 7.348 -0.076 13.948 1.00 0.00 O ATOM 0 H SER A 5 8.500 -2.781 10.843 1.00 0.00 H new ATOM 0 HA SER A 5 7.612 -0.833 11.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.461 -2.105 13.626 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.957 -1.345 14.131 1.00 0.00 H new ATOM 0 HG SER A 5 7.837 0.738 13.706 1.00 0.00 H new ATOM 48 N SER A 6 10.258 0.061 10.818 1.00 0.00 N ATOM 49 CA SER A 6 11.254 1.095 10.566 1.00 0.00 C ATOM 50 C SER A 6 10.627 2.292 9.859 1.00 0.00 C ATOM 51 O SER A 6 11.017 3.437 10.087 1.00 0.00 O ATOM 52 CB SER A 6 12.401 0.533 9.722 1.00 0.00 C ATOM 53 OG SER A 6 11.993 0.327 8.381 1.00 0.00 O ATOM 0 H SER A 6 10.209 -0.662 10.100 1.00 0.00 H new ATOM 0 HA SER A 6 11.648 1.428 11.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.246 1.221 9.747 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.744 -0.409 10.150 1.00 0.00 H new ATOM 0 HG SER A 6 12.743 -0.031 7.862 1.00 0.00 H new ATOM 59 N GLY A 7 9.652 2.019 8.997 1.00 0.00 N ATOM 60 CA GLY A 7 8.985 3.083 8.269 1.00 0.00 C ATOM 61 C GLY A 7 7.497 2.838 8.118 1.00 0.00 C ATOM 62 O GLY A 7 6.954 1.852 8.618 1.00 0.00 O ATOM 0 H GLY A 7 9.312 1.080 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.144 4.029 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.436 3.181 7.282 1.00 0.00 H new ATOM 66 N PRO A 8 6.811 3.752 7.416 1.00 0.00 N ATOM 67 CA PRO A 8 5.367 3.653 7.185 1.00 0.00 C ATOM 68 C PRO A 8 5.008 2.513 6.238 1.00 0.00 C ATOM 69 O PRO A 8 5.469 2.473 5.097 1.00 0.00 O ATOM 70 CB PRO A 8 5.015 5.003 6.554 1.00 0.00 C ATOM 71 CG PRO A 8 6.281 5.466 5.920 1.00 0.00 C ATOM 72 CD PRO A 8 7.394 4.952 6.792 1.00 0.00 C ATOM 0 HA PRO A 8 4.821 3.441 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.218 4.900 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.666 5.712 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.372 5.081 4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.309 6.554 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.283 4.710 6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.693 5.688 7.538 1.00 0.00 H new ATOM 80 N CYS A 9 4.183 1.589 6.718 1.00 0.00 N ATOM 81 CA CYS A 9 3.762 0.448 5.914 1.00 0.00 C ATOM 82 C CYS A 9 2.286 0.138 6.139 1.00 0.00 C ATOM 83 O CYS A 9 1.640 0.738 7.000 1.00 0.00 O ATOM 84 CB CYS A 9 4.610 -0.780 6.251 1.00 0.00 C ATOM 85 SG CYS A 9 6.386 -0.538 6.014 1.00 0.00 S ATOM 0 H CYS A 9 3.793 1.608 7.660 1.00 0.00 H new ATOM 0 HA CYS A 9 3.905 0.703 4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.428 -1.061 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.282 -1.615 5.632 1.00 0.00 H new ATOM 0 HG CYS A 9 6.826 0.324 6.882 1.00 0.00 H new ATOM 91 N CYS A 10 1.758 -0.799 5.360 1.00 0.00 N ATOM 92 CA CYS A 10 0.356 -1.186 5.473 1.00 0.00 C ATOM 93 C CYS A 10 0.211 -2.704 5.493 1.00 0.00 C ATOM 94 O CYS A 10 1.121 -3.430 5.091 1.00 0.00 O ATOM 95 CB CYS A 10 -0.451 -0.600 4.314 1.00 0.00 C ATOM 96 SG CYS A 10 -0.194 -1.443 2.735 1.00 0.00 S ATOM 0 H CYS A 10 2.279 -1.305 4.644 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.030 -0.790 6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.511 -0.640 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.190 0.452 4.199 1.00 0.00 H new ATOM 0 HG CYS A 10 0.790 -0.881 2.098 1.00 0.00 H new ATOM 102 N ARG A 11 -0.937 -3.178 5.966 1.00 0.00 N ATOM 103 CA ARG A 11 -1.199 -4.610 6.042 1.00 0.00 C ATOM 104 C ARG A 11 -2.416 -4.985 5.201 1.00 0.00 C ATOM 105 O ARG A 11 -3.448 -4.318 5.252 1.00 0.00 O ATOM 106 CB ARG A 11 -1.421 -5.033 7.496 1.00 0.00 C ATOM 107 CG ARG A 11 -1.492 -6.539 7.687 1.00 0.00 C ATOM 108 CD ARG A 11 -2.232 -6.904 8.964 1.00 0.00 C ATOM 109 NE ARG A 11 -1.333 -6.995 10.112 1.00 0.00 N ATOM 110 CZ ARG A 11 -0.421 -7.951 10.257 1.00 0.00 C ATOM 111 NH1 ARG A 11 -0.289 -8.891 9.332 1.00 0.00 N ATOM 112 NH2 ARG A 11 0.360 -7.966 11.329 1.00 0.00 N ATOM 0 H ARG A 11 -1.700 -2.591 6.302 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.329 -5.135 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.612 -4.635 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.346 -4.585 7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.994 -6.992 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.483 -6.951 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.000 -6.157 9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.742 -7.857 8.827 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.409 -6.286 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.888 -8.882 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.412 -9.624 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.261 -7.244 12.042 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.060 -8.700 11.440 1.00 0.00 H new ATOM 126 N ALA A 12 -2.285 -6.057 4.426 1.00 0.00 N ATOM 127 CA ALA A 12 -3.373 -6.522 3.575 1.00 0.00 C ATOM 128 C ALA A 12 -4.388 -7.332 4.374 1.00 0.00 C ATOM 129 O ALA A 12 -4.019 -8.175 5.193 1.00 0.00 O ATOM 130 CB ALA A 12 -2.825 -7.350 2.422 1.00 0.00 C ATOM 0 H ALA A 12 -1.436 -6.620 4.370 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.883 -5.648 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.649 -7.691 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.144 -6.740 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.289 -8.213 2.817 1.00 0.00 H new ATOM 136 N LEU A 13 -5.668 -7.071 4.133 1.00 0.00 N ATOM 137 CA LEU A 13 -6.737 -7.776 4.831 1.00 0.00 C ATOM 138 C LEU A 13 -7.269 -8.931 3.989 1.00 0.00 C ATOM 139 O LEU A 13 -7.761 -9.926 4.522 1.00 0.00 O ATOM 140 CB LEU A 13 -7.875 -6.811 5.170 1.00 0.00 C ATOM 141 CG LEU A 13 -7.506 -5.623 6.060 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.412 -4.437 5.770 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.585 -6.013 7.528 1.00 0.00 C ATOM 0 H LEU A 13 -5.991 -6.376 3.459 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.326 -8.183 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.288 -6.426 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.668 -7.375 5.661 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.480 -5.331 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.134 -3.601 6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.304 -4.143 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.448 -4.715 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.319 -5.156 8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.600 -6.332 7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.892 -6.831 7.725 1.00 0.00 H new ATOM 155 N TYR A 14 -7.164 -8.793 2.672 1.00 0.00 N ATOM 156 CA TYR A 14 -7.635 -9.825 1.756 1.00 0.00 C ATOM 157 C TYR A 14 -6.651 -10.022 0.606 1.00 0.00 C ATOM 158 O TYR A 14 -5.636 -9.331 0.517 1.00 0.00 O ATOM 159 CB TYR A 14 -9.014 -9.458 1.205 1.00 0.00 C ATOM 160 CG TYR A 14 -10.108 -9.481 2.248 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.399 -8.351 3.002 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.850 -10.633 2.480 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.398 -8.368 3.957 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.851 -10.658 3.431 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.121 -9.523 4.167 1.00 0.00 C ATOM 166 OH TYR A 14 -13.117 -9.545 5.117 1.00 0.00 O ATOM 0 H TYR A 14 -6.757 -7.977 2.215 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.711 -10.760 2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.966 -8.463 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.272 -10.151 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.835 -7.444 2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.640 -11.524 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.611 -7.481 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.419 -11.561 3.598 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.529 -10.434 5.138 1.00 0.00 H new ATOM 176 N ASP A 15 -6.961 -10.969 -0.273 1.00 0.00 N ATOM 177 CA ASP A 15 -6.107 -11.257 -1.419 1.00 0.00 C ATOM 178 C ASP A 15 -6.572 -10.487 -2.651 1.00 0.00 C ATOM 179 O ASP A 15 -7.770 -10.287 -2.855 1.00 0.00 O ATOM 180 CB ASP A 15 -6.100 -12.758 -1.713 1.00 0.00 C ATOM 181 CG ASP A 15 -7.316 -13.198 -2.504 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.396 -13.354 -1.896 1.00 0.00 O ATOM 183 OD2 ASP A 15 -7.188 -13.386 -3.732 1.00 0.00 O ATOM 0 H ASP A 15 -7.797 -11.550 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.094 -10.938 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.197 -13.012 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.062 -13.309 -0.773 1.00 0.00 H new ATOM 188 N PHE A 16 -5.617 -10.056 -3.468 1.00 0.00 N ATOM 189 CA PHE A 16 -5.929 -9.306 -4.679 1.00 0.00 C ATOM 190 C PHE A 16 -4.983 -9.687 -5.814 1.00 0.00 C ATOM 191 O PHE A 16 -3.840 -10.078 -5.577 1.00 0.00 O ATOM 192 CB PHE A 16 -5.842 -7.802 -4.410 1.00 0.00 C ATOM 193 CG PHE A 16 -6.039 -6.961 -5.638 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.224 -7.024 -6.354 1.00 0.00 C ATOM 195 CD2 PHE A 16 -5.041 -6.106 -6.077 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.408 -6.251 -7.485 1.00 0.00 C ATOM 197 CE2 PHE A 16 -5.219 -5.331 -7.207 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.405 -5.402 -7.911 1.00 0.00 C ATOM 0 H PHE A 16 -4.621 -10.213 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.947 -9.556 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.593 -7.530 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.868 -7.574 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.012 -7.684 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.112 -6.045 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.335 -6.311 -8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.432 -4.671 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.548 -4.795 -8.793 1.00 0.00 H new ATOM 208 N GLU A 17 -5.468 -9.569 -7.046 1.00 0.00 N ATOM 209 CA GLU A 17 -4.665 -9.902 -8.217 1.00 0.00 C ATOM 210 C GLU A 17 -4.744 -8.795 -9.264 1.00 0.00 C ATOM 211 O GLU A 17 -5.781 -8.159 -9.455 1.00 0.00 O ATOM 212 CB GLU A 17 -5.133 -11.226 -8.824 1.00 0.00 C ATOM 213 CG GLU A 17 -4.954 -12.418 -7.898 1.00 0.00 C ATOM 214 CD GLU A 17 -5.303 -13.734 -8.565 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.303 -13.774 -9.312 1.00 0.00 O ATOM 216 OE2 GLU A 17 -4.575 -14.723 -8.341 1.00 0.00 O ATOM 0 H GLU A 17 -6.412 -9.246 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.628 -10.003 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.186 -11.141 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.582 -11.408 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.921 -12.453 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.580 -12.285 -7.016 1.00 0.00 H new ATOM 223 N PRO A 18 -3.621 -8.556 -9.958 1.00 0.00 N ATOM 224 CA PRO A 18 -3.537 -7.525 -10.997 1.00 0.00 C ATOM 225 C PRO A 18 -4.345 -7.886 -12.239 1.00 0.00 C ATOM 226 O PRO A 18 -4.154 -8.951 -12.825 1.00 0.00 O ATOM 227 CB PRO A 18 -2.043 -7.475 -11.326 1.00 0.00 C ATOM 228 CG PRO A 18 -1.529 -8.824 -10.960 1.00 0.00 C ATOM 229 CD PRO A 18 -2.348 -9.274 -9.782 1.00 0.00 C ATOM 0 HA PRO A 18 -3.945 -6.572 -10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.877 -7.261 -12.382 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.539 -6.692 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.630 -9.519 -11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.470 -8.782 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.493 -10.354 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.869 -9.017 -8.837 1.00 0.00 H new ATOM 237 N GLU A 19 -5.246 -6.992 -12.634 1.00 0.00 N ATOM 238 CA GLU A 19 -6.082 -7.219 -13.806 1.00 0.00 C ATOM 239 C GLU A 19 -5.600 -6.382 -14.988 1.00 0.00 C ATOM 240 O GLU A 19 -5.593 -6.845 -16.128 1.00 0.00 O ATOM 241 CB GLU A 19 -7.542 -6.884 -13.492 1.00 0.00 C ATOM 242 CG GLU A 19 -8.104 -7.662 -12.314 1.00 0.00 C ATOM 243 CD GLU A 19 -8.671 -9.008 -12.722 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.880 -9.892 -13.114 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.906 -9.178 -12.649 1.00 0.00 O ATOM 0 H GLU A 19 -5.415 -6.105 -12.160 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.008 -8.273 -14.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.625 -5.817 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.150 -7.086 -14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.318 -7.812 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.885 -7.073 -11.834 1.00 0.00 H new ATOM 252 N ASN A 20 -5.199 -5.147 -14.706 1.00 0.00 N ATOM 253 CA ASN A 20 -4.716 -4.244 -15.745 1.00 0.00 C ATOM 254 C ASN A 20 -3.418 -3.566 -15.317 1.00 0.00 C ATOM 255 O ASN A 20 -3.129 -3.454 -14.126 1.00 0.00 O ATOM 256 CB ASN A 20 -5.776 -3.187 -16.064 1.00 0.00 C ATOM 257 CG ASN A 20 -6.171 -2.378 -14.843 1.00 0.00 C ATOM 258 OD1 ASN A 20 -5.327 -1.755 -14.198 1.00 0.00 O ATOM 259 ND2 ASN A 20 -7.459 -2.384 -14.521 1.00 0.00 N ATOM 0 H ASN A 20 -5.199 -4.748 -13.767 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.519 -4.833 -16.641 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.396 -2.516 -16.834 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.660 -3.675 -16.475 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.784 -1.858 -13.710 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.123 -2.915 -15.085 1.00 0.00 H new ATOM 266 N GLU A 21 -2.641 -3.116 -16.297 1.00 0.00 N ATOM 267 CA GLU A 21 -1.374 -2.449 -16.021 1.00 0.00 C ATOM 268 C GLU A 21 -1.528 -1.434 -14.892 1.00 0.00 C ATOM 269 O GLU A 21 -2.595 -0.848 -14.710 1.00 0.00 O ATOM 270 CB GLU A 21 -0.853 -1.753 -17.280 1.00 0.00 C ATOM 271 CG GLU A 21 -0.310 -2.713 -18.325 1.00 0.00 C ATOM 272 CD GLU A 21 0.289 -1.997 -19.520 1.00 0.00 C ATOM 273 OE1 GLU A 21 -0.484 -1.418 -20.312 1.00 0.00 O ATOM 274 OE2 GLU A 21 1.529 -2.015 -19.664 1.00 0.00 O ATOM 0 H GLU A 21 -2.866 -3.201 -17.288 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.655 -3.206 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.659 -1.167 -17.721 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.067 -1.052 -16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.449 -3.349 -17.869 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.113 -3.368 -18.664 1.00 0.00 H new ATOM 281 N GLY A 22 -0.453 -1.230 -14.136 1.00 0.00 N ATOM 282 CA GLY A 22 -0.489 -0.286 -13.034 1.00 0.00 C ATOM 283 C GLY A 22 -1.194 -0.846 -11.814 1.00 0.00 C ATOM 284 O GLY A 22 -1.935 -0.134 -11.138 1.00 0.00 O ATOM 0 H GLY A 22 0.442 -1.702 -14.267 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.530 -0.007 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.994 0.625 -13.356 1.00 0.00 H new ATOM 288 N GLU A 23 -0.964 -2.125 -11.534 1.00 0.00 N ATOM 289 CA GLU A 23 -1.585 -2.779 -10.389 1.00 0.00 C ATOM 290 C GLU A 23 -0.607 -3.737 -9.713 1.00 0.00 C ATOM 291 O GLU A 23 -0.084 -4.656 -10.345 1.00 0.00 O ATOM 292 CB GLU A 23 -2.840 -3.537 -10.825 1.00 0.00 C ATOM 293 CG GLU A 23 -3.977 -2.631 -11.266 1.00 0.00 C ATOM 294 CD GLU A 23 -5.341 -3.245 -11.022 1.00 0.00 C ATOM 295 OE1 GLU A 23 -5.469 -4.480 -11.157 1.00 0.00 O ATOM 296 OE2 GLU A 23 -6.281 -2.490 -10.697 1.00 0.00 O ATOM 0 H GLU A 23 -0.353 -2.728 -12.084 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.866 -2.008 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.582 -4.208 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.183 -4.160 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.909 -1.683 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.868 -2.408 -12.327 1.00 0.00 H new ATOM 303 N LEU A 24 -0.365 -3.515 -8.426 1.00 0.00 N ATOM 304 CA LEU A 24 0.550 -4.357 -7.663 1.00 0.00 C ATOM 305 C LEU A 24 -0.218 -5.371 -6.821 1.00 0.00 C ATOM 306 O LEU A 24 -0.747 -5.039 -5.761 1.00 0.00 O ATOM 307 CB LEU A 24 1.437 -3.496 -6.763 1.00 0.00 C ATOM 308 CG LEU A 24 2.310 -4.251 -5.760 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.651 -4.609 -6.383 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.510 -3.425 -4.498 1.00 0.00 C ATOM 0 H LEU A 24 -0.790 -2.759 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 24 1.179 -4.900 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.086 -2.892 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.799 -2.806 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 24 1.800 -5.175 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.259 -5.146 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.489 -5.241 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.167 -3.697 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.134 -3.978 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.997 -2.484 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.542 -3.220 -4.040 1.00 0.00 H new ATOM 322 N GLY A 25 -0.272 -6.611 -7.299 1.00 0.00 N ATOM 323 CA GLY A 25 -0.975 -7.654 -6.577 1.00 0.00 C ATOM 324 C GLY A 25 -0.392 -7.899 -5.199 1.00 0.00 C ATOM 325 O GLY A 25 0.827 -7.914 -5.026 1.00 0.00 O ATOM 0 H GLY A 25 0.159 -6.911 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.026 -7.380 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.939 -8.579 -7.153 1.00 0.00 H new ATOM 329 N PHE A 26 -1.264 -8.090 -4.214 1.00 0.00 N ATOM 330 CA PHE A 26 -0.829 -8.332 -2.844 1.00 0.00 C ATOM 331 C PHE A 26 -1.472 -9.598 -2.285 1.00 0.00 C ATOM 332 O PHE A 26 -2.173 -10.318 -2.996 1.00 0.00 O ATOM 333 CB PHE A 26 -1.178 -7.135 -1.957 1.00 0.00 C ATOM 334 CG PHE A 26 -2.625 -6.737 -2.027 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.618 -7.609 -1.611 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.991 -5.491 -2.511 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.950 -7.246 -1.675 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.322 -5.123 -2.576 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.302 -6.002 -2.159 1.00 0.00 C ATOM 0 H PHE A 26 -2.276 -8.082 -4.340 1.00 0.00 H new ATOM 0 HA PHE A 26 0.253 -8.467 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.925 -7.373 -0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.561 -6.285 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.348 -8.584 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.229 -4.801 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.714 -7.935 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.595 -4.148 -2.953 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.342 -5.717 -2.211 1.00 0.00 H new ATOM 349 N LYS A 27 -1.229 -9.862 -1.006 1.00 0.00 N ATOM 350 CA LYS A 27 -1.783 -11.040 -0.349 1.00 0.00 C ATOM 351 C LYS A 27 -2.056 -10.762 1.126 1.00 0.00 C ATOM 352 O LYS A 27 -1.251 -10.127 1.806 1.00 0.00 O ATOM 353 CB LYS A 27 -0.824 -12.225 -0.486 1.00 0.00 C ATOM 354 CG LYS A 27 -0.831 -12.855 -1.868 1.00 0.00 C ATOM 355 CD LYS A 27 -2.125 -13.606 -2.133 1.00 0.00 C ATOM 356 CE LYS A 27 -2.035 -15.052 -1.669 1.00 0.00 C ATOM 357 NZ LYS A 27 -1.116 -15.853 -2.524 1.00 0.00 N ATOM 0 H LYS A 27 -0.652 -9.276 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.727 -11.286 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.187 -11.892 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.088 -12.983 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.698 -12.080 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.013 -13.539 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.948 -13.108 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.351 -13.578 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.688 -15.081 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.028 -15.501 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.339 -16.864 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.233 -15.572 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.133 -15.684 -2.230 1.00 0.00 H new ATOM 371 N GLU A 28 -3.195 -11.244 1.614 1.00 0.00 N ATOM 372 CA GLU A 28 -3.573 -11.047 3.008 1.00 0.00 C ATOM 373 C GLU A 28 -2.362 -11.196 3.925 1.00 0.00 C ATOM 374 O GLU A 28 -1.597 -12.152 3.811 1.00 0.00 O ATOM 375 CB GLU A 28 -4.658 -12.046 3.412 1.00 0.00 C ATOM 376 CG GLU A 28 -5.254 -11.777 4.784 1.00 0.00 C ATOM 377 CD GLU A 28 -4.478 -12.451 5.899 1.00 0.00 C ATOM 378 OE1 GLU A 28 -3.300 -12.799 5.675 1.00 0.00 O ATOM 379 OE2 GLU A 28 -5.048 -12.630 6.995 1.00 0.00 O ATOM 0 H GLU A 28 -3.872 -11.774 1.064 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.965 -10.035 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.455 -12.024 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.237 -13.051 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.278 -10.702 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.286 -12.126 4.802 1.00 0.00 H new ATOM 386 N GLY A 29 -2.196 -10.241 4.836 1.00 0.00 N ATOM 387 CA GLY A 29 -1.077 -10.283 5.759 1.00 0.00 C ATOM 388 C GLY A 29 0.155 -9.592 5.210 1.00 0.00 C ATOM 389 O GLY A 29 0.844 -8.871 5.931 1.00 0.00 O ATOM 0 H GLY A 29 -2.816 -9.440 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.367 -9.811 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.836 -11.322 5.986 1.00 0.00 H new ATOM 393 N ASP A 30 0.433 -9.812 3.930 1.00 0.00 N ATOM 394 CA ASP A 30 1.591 -9.205 3.284 1.00 0.00 C ATOM 395 C ASP A 30 1.667 -7.714 3.595 1.00 0.00 C ATOM 396 O ASP A 30 0.675 -6.994 3.481 1.00 0.00 O ATOM 397 CB ASP A 30 1.528 -9.420 1.771 1.00 0.00 C ATOM 398 CG ASP A 30 1.580 -10.887 1.391 1.00 0.00 C ATOM 399 OD1 ASP A 30 0.984 -11.709 2.118 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.216 -11.212 0.367 1.00 0.00 O ATOM 0 H ASP A 30 -0.128 -10.406 3.319 1.00 0.00 H new ATOM 0 HA ASP A 30 2.488 -9.686 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.610 -8.980 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.358 -8.896 1.298 1.00 0.00 H new ATOM 405 N ILE A 31 2.851 -7.257 3.991 1.00 0.00 N ATOM 406 CA ILE A 31 3.056 -5.852 4.319 1.00 0.00 C ATOM 407 C ILE A 31 3.671 -5.097 3.145 1.00 0.00 C ATOM 408 O ILE A 31 4.807 -5.362 2.751 1.00 0.00 O ATOM 409 CB ILE A 31 3.965 -5.689 5.552 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.356 -6.405 6.760 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.182 -4.214 5.858 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.227 -5.638 7.411 1.00 0.00 C ATOM 0 H ILE A 31 3.682 -7.840 4.092 1.00 0.00 H new ATOM 0 HA ILE A 31 2.075 -5.434 4.543 1.00 0.00 H new ATOM 0 HB ILE A 31 4.932 -6.142 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.987 -7.381 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.137 -6.582 7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.826 -4.115 6.732 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.654 -3.730 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.222 -3.739 6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.844 -6.205 8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.595 -4.672 7.757 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.427 -5.483 6.687 1.00 0.00 H new ATOM 424 N ILE A 32 2.913 -4.156 2.593 1.00 0.00 N ATOM 425 CA ILE A 32 3.385 -3.361 1.466 1.00 0.00 C ATOM 426 C ILE A 32 3.925 -2.013 1.932 1.00 0.00 C ATOM 427 O ILE A 32 3.185 -1.185 2.464 1.00 0.00 O ATOM 428 CB ILE A 32 2.265 -3.124 0.436 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.569 -4.443 0.094 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.828 -2.474 -0.819 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.116 -4.277 -0.292 1.00 0.00 C ATOM 0 H ILE A 32 1.970 -3.925 2.907 1.00 0.00 H new ATOM 0 HA ILE A 32 4.188 -3.928 0.994 1.00 0.00 H new ATOM 0 HB ILE A 32 1.528 -2.449 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.102 -4.924 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.634 -5.112 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.024 -2.313 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.281 -1.517 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.583 -3.126 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.313 -5.252 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.431 -3.825 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.044 -3.634 -1.169 1.00 0.00 H new ATOM 443 N THR A 33 5.221 -1.798 1.727 1.00 0.00 N ATOM 444 CA THR A 33 5.861 -0.551 2.125 1.00 0.00 C ATOM 445 C THR A 33 5.118 0.654 1.560 1.00 0.00 C ATOM 446 O THR A 33 4.291 0.518 0.657 1.00 0.00 O ATOM 447 CB THR A 33 7.329 -0.499 1.660 1.00 0.00 C ATOM 448 OG1 THR A 33 7.983 -1.736 1.964 1.00 0.00 O ATOM 449 CG2 THR A 33 8.068 0.649 2.330 1.00 0.00 C ATOM 0 H THR A 33 5.848 -2.472 1.287 1.00 0.00 H new ATOM 0 HA THR A 33 5.831 -0.515 3.214 1.00 0.00 H new ATOM 0 HB THR A 33 7.340 -0.338 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.915 -1.696 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.102 0.666 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.585 1.592 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.047 0.513 3.411 1.00 0.00 H new ATOM 457 N LEU A 34 5.417 1.832 2.095 1.00 0.00 N ATOM 458 CA LEU A 34 4.777 3.063 1.642 1.00 0.00 C ATOM 459 C LEU A 34 5.818 4.123 1.298 1.00 0.00 C ATOM 460 O LEU A 34 6.743 4.375 2.072 1.00 0.00 O ATOM 461 CB LEU A 34 3.828 3.593 2.718 1.00 0.00 C ATOM 462 CG LEU A 34 2.665 2.676 3.098 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.117 3.048 4.467 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.567 2.744 2.046 1.00 0.00 C ATOM 0 H LEU A 34 6.098 1.962 2.843 1.00 0.00 H new ATOM 0 HA LEU A 34 4.205 2.837 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.409 3.801 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.418 4.544 2.377 1.00 0.00 H new ATOM 0 HG LEU A 34 3.035 1.652 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.290 2.385 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.905 2.948 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.763 4.079 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.747 2.085 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.200 3.767 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.966 2.428 1.082 1.00 0.00 H new ATOM 476 N THR A 35 5.660 4.745 0.134 1.00 0.00 N ATOM 477 CA THR A 35 6.585 5.779 -0.312 1.00 0.00 C ATOM 478 C THR A 35 5.849 7.075 -0.632 1.00 0.00 C ATOM 479 O THR A 35 6.258 8.154 -0.205 1.00 0.00 O ATOM 480 CB THR A 35 7.373 5.329 -1.557 1.00 0.00 C ATOM 481 OG1 THR A 35 6.475 5.099 -2.649 1.00 0.00 O ATOM 482 CG2 THR A 35 8.164 4.062 -1.269 1.00 0.00 C ATOM 0 H THR A 35 4.899 4.550 -0.517 1.00 0.00 H new ATOM 0 HA THR A 35 7.282 5.953 0.507 1.00 0.00 H new ATOM 0 HB THR A 35 8.072 6.122 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.705 4.581 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.712 3.764 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.867 4.249 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.480 3.264 -0.980 1.00 0.00 H new ATOM 490 N ASN A 36 4.759 6.961 -1.385 1.00 0.00 N ATOM 491 CA ASN A 36 3.965 8.125 -1.761 1.00 0.00 C ATOM 492 C ASN A 36 2.563 7.709 -2.197 1.00 0.00 C ATOM 493 O ASN A 36 2.270 6.520 -2.326 1.00 0.00 O ATOM 494 CB ASN A 36 4.654 8.895 -2.889 1.00 0.00 C ATOM 495 CG ASN A 36 5.713 9.851 -2.373 1.00 0.00 C ATOM 496 OD1 ASN A 36 6.894 9.510 -2.309 1.00 0.00 O ATOM 497 ND2 ASN A 36 5.293 11.055 -2.002 1.00 0.00 N ATOM 0 H ASN A 36 4.406 6.075 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 36 3.878 8.772 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.112 8.188 -3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.907 9.454 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.959 11.741 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.304 11.294 -2.072 1.00 0.00 H new ATOM 504 N GLN A 37 1.702 8.696 -2.422 1.00 0.00 N ATOM 505 CA GLN A 37 0.332 8.432 -2.843 1.00 0.00 C ATOM 506 C GLN A 37 -0.017 9.230 -4.095 1.00 0.00 C ATOM 507 O GLN A 37 0.216 10.438 -4.157 1.00 0.00 O ATOM 508 CB GLN A 37 -0.645 8.775 -1.717 1.00 0.00 C ATOM 509 CG GLN A 37 -2.091 8.433 -2.041 1.00 0.00 C ATOM 510 CD GLN A 37 -3.077 9.358 -1.354 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.814 10.549 -1.185 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.220 8.813 -0.955 1.00 0.00 N ATOM 0 H GLN A 37 1.929 9.685 -2.320 1.00 0.00 H new ATOM 0 HA GLN A 37 0.249 7.370 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.348 8.242 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.573 9.840 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.240 8.486 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.293 7.405 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.396 7.821 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.922 9.386 -0.488 1.00 0.00 H new ATOM 521 N ILE A 38 -0.574 8.549 -5.090 1.00 0.00 N ATOM 522 CA ILE A 38 -0.954 9.195 -6.340 1.00 0.00 C ATOM 523 C ILE A 38 -2.446 9.509 -6.364 1.00 0.00 C ATOM 524 O ILE A 38 -2.854 10.606 -6.744 1.00 0.00 O ATOM 525 CB ILE A 38 -0.605 8.318 -7.556 1.00 0.00 C ATOM 526 CG1 ILE A 38 0.911 8.148 -7.672 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.174 8.927 -8.829 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.443 6.947 -6.923 1.00 0.00 C ATOM 0 H ILE A 38 -0.772 7.549 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.388 10.125 -6.400 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.052 7.334 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.179 8.057 -8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.399 9.047 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.919 8.296 -9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.258 9.001 -8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.753 9.922 -8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.524 6.889 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.206 7.045 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.983 6.040 -7.315 1.00 0.00 H new ATOM 540 N ASP A 39 -3.256 8.538 -5.955 1.00 0.00 N ATOM 541 CA ASP A 39 -4.704 8.711 -5.928 1.00 0.00 C ATOM 542 C ASP A 39 -5.201 8.899 -4.498 1.00 0.00 C ATOM 543 O ASP A 39 -4.407 8.987 -3.562 1.00 0.00 O ATOM 544 CB ASP A 39 -5.395 7.505 -6.566 1.00 0.00 C ATOM 545 CG ASP A 39 -4.782 7.126 -7.900 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.976 7.879 -8.878 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.109 6.077 -7.967 1.00 0.00 O ATOM 0 H ASP A 39 -2.934 7.623 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.950 9.605 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.335 6.654 -5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.453 7.728 -6.706 1.00 0.00 H new ATOM 552 N GLU A 40 -6.519 8.962 -4.338 1.00 0.00 N ATOM 553 CA GLU A 40 -7.121 9.142 -3.023 1.00 0.00 C ATOM 554 C GLU A 40 -7.409 7.795 -2.367 1.00 0.00 C ATOM 555 O GLU A 40 -7.693 7.722 -1.172 1.00 0.00 O ATOM 556 CB GLU A 40 -8.414 9.953 -3.135 1.00 0.00 C ATOM 557 CG GLU A 40 -8.888 10.529 -1.812 1.00 0.00 C ATOM 558 CD GLU A 40 -7.952 11.591 -1.268 1.00 0.00 C ATOM 559 OE1 GLU A 40 -6.953 11.223 -0.615 1.00 0.00 O ATOM 560 OE2 GLU A 40 -8.218 12.789 -1.497 1.00 0.00 O ATOM 0 H GLU A 40 -7.190 8.891 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.412 9.687 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.261 10.768 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.198 9.317 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.881 10.958 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.981 9.724 -1.083 1.00 0.00 H new ATOM 567 N ASN A 41 -7.334 6.730 -3.159 1.00 0.00 N ATOM 568 CA ASN A 41 -7.587 5.384 -2.656 1.00 0.00 C ATOM 569 C ASN A 41 -6.453 4.438 -3.039 1.00 0.00 C ATOM 570 O ASN A 41 -6.512 3.240 -2.764 1.00 0.00 O ATOM 571 CB ASN A 41 -8.915 4.855 -3.202 1.00 0.00 C ATOM 572 CG ASN A 41 -10.090 5.214 -2.314 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.053 5.004 -1.101 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.141 5.758 -2.915 1.00 0.00 N ATOM 0 H ASN A 41 -7.100 6.773 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.643 5.433 -1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.081 5.260 -4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.857 3.771 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.962 6.020 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.128 5.914 -3.923 1.00 0.00 H new ATOM 581 N TRP A 42 -5.423 4.985 -3.674 1.00 0.00 N ATOM 582 CA TRP A 42 -4.275 4.190 -4.094 1.00 0.00 C ATOM 583 C TRP A 42 -2.987 4.723 -3.475 1.00 0.00 C ATOM 584 O TRP A 42 -2.856 5.922 -3.228 1.00 0.00 O ATOM 585 CB TRP A 42 -4.159 4.190 -5.619 1.00 0.00 C ATOM 586 CG TRP A 42 -5.400 3.709 -6.308 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.615 4.334 -6.339 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.548 2.502 -7.064 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.509 3.587 -7.069 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.879 2.460 -7.525 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.686 1.454 -7.398 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.365 1.410 -8.300 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.170 0.413 -8.167 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.499 0.397 -8.611 1.00 0.00 C ATOM 0 H TRP A 42 -5.359 5.975 -3.909 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.427 3.168 -3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.931 5.200 -5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.321 3.558 -5.913 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.840 5.276 -5.861 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.484 3.833 -7.243 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.660 1.458 -7.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.389 1.396 -8.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.513 -0.402 -8.430 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.847 -0.431 -9.211 1.00 0.00 H new ATOM 605 N TYR A 43 -2.040 3.826 -3.225 1.00 0.00 N ATOM 606 CA TYR A 43 -0.764 4.207 -2.633 1.00 0.00 C ATOM 607 C TYR A 43 0.398 3.801 -3.534 1.00 0.00 C ATOM 608 O TYR A 43 0.198 3.204 -4.591 1.00 0.00 O ATOM 609 CB TYR A 43 -0.604 3.561 -1.255 1.00 0.00 C ATOM 610 CG TYR A 43 -1.253 4.348 -0.139 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.086 5.724 -0.043 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.036 3.715 0.819 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.676 6.446 0.975 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.631 4.430 1.841 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.448 5.795 1.915 1.00 0.00 C ATOM 616 OH TYR A 43 -3.040 6.511 2.930 1.00 0.00 O ATOM 0 H TYR A 43 -2.132 2.830 -3.423 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.753 5.291 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.034 2.560 -1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.458 3.446 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.484 6.238 -0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.182 2.646 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.534 7.515 1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.236 3.923 2.578 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.731 5.963 3.358 1.00 0.00 H new ATOM 626 N GLU A 44 1.613 4.130 -3.107 1.00 0.00 N ATOM 627 CA GLU A 44 2.808 3.801 -3.875 1.00 0.00 C ATOM 628 C GLU A 44 3.906 3.256 -2.966 1.00 0.00 C ATOM 629 O GLU A 44 4.390 3.951 -2.073 1.00 0.00 O ATOM 630 CB GLU A 44 3.316 5.034 -4.625 1.00 0.00 C ATOM 631 CG GLU A 44 4.249 4.704 -5.777 1.00 0.00 C ATOM 632 CD GLU A 44 4.948 5.931 -6.331 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.175 6.884 -5.557 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.268 5.938 -7.538 1.00 0.00 O ATOM 0 H GLU A 44 1.796 4.624 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 44 2.543 3.030 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.462 5.593 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.835 5.687 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.996 3.986 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.681 4.223 -6.573 1.00 0.00 H new ATOM 641 N GLY A 45 4.296 2.007 -3.201 1.00 0.00 N ATOM 642 CA GLY A 45 5.333 1.389 -2.396 1.00 0.00 C ATOM 643 C GLY A 45 6.115 0.340 -3.162 1.00 0.00 C ATOM 644 O GLY A 45 5.892 0.140 -4.356 1.00 0.00 O ATOM 0 H GLY A 45 3.912 1.412 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.017 2.158 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.881 0.930 -1.517 1.00 0.00 H new ATOM 648 N MET A 46 7.034 -0.329 -2.475 1.00 0.00 N ATOM 649 CA MET A 46 7.852 -1.362 -3.100 1.00 0.00 C ATOM 650 C MET A 46 7.489 -2.743 -2.561 1.00 0.00 C ATOM 651 O MET A 46 7.390 -2.941 -1.350 1.00 0.00 O ATOM 652 CB MET A 46 9.337 -1.083 -2.859 1.00 0.00 C ATOM 653 CG MET A 46 9.976 -0.224 -3.937 1.00 0.00 C ATOM 654 SD MET A 46 11.772 -0.151 -3.794 1.00 0.00 S ATOM 655 CE MET A 46 11.960 1.102 -2.528 1.00 0.00 C ATOM 0 H MET A 46 7.231 -0.175 -1.486 1.00 0.00 H new ATOM 0 HA MET A 46 7.656 -1.346 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.454 -0.588 -1.895 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.871 -2.031 -2.797 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.709 -0.620 -4.917 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.570 0.786 -3.880 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.020 1.261 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.512 2.035 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.463 0.774 -1.615 1.00 0.00 H new ATOM 665 N LEU A 47 7.291 -3.693 -3.468 1.00 0.00 N ATOM 666 CA LEU A 47 6.938 -5.056 -3.084 1.00 0.00 C ATOM 667 C LEU A 47 7.490 -6.064 -4.087 1.00 0.00 C ATOM 668 O LEU A 47 7.236 -5.964 -5.287 1.00 0.00 O ATOM 669 CB LEU A 47 5.419 -5.200 -2.981 1.00 0.00 C ATOM 670 CG LEU A 47 4.901 -6.586 -2.594 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.271 -6.911 -1.155 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.395 -6.667 -2.791 1.00 0.00 C ATOM 0 H LEU A 47 7.369 -3.545 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 47 7.383 -5.260 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.055 -4.480 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.982 -4.926 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 47 5.372 -7.323 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.894 -7.901 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.355 -6.896 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.829 -6.170 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.044 -7.660 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.906 -5.920 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.154 -6.479 -3.837 1.00 0.00 H new ATOM 684 N HIS A 48 8.244 -7.037 -3.585 1.00 0.00 N ATOM 685 CA HIS A 48 8.829 -8.067 -4.437 1.00 0.00 C ATOM 686 C HIS A 48 9.690 -7.442 -5.531 1.00 0.00 C ATOM 687 O HIS A 48 9.647 -7.864 -6.686 1.00 0.00 O ATOM 688 CB HIS A 48 7.730 -8.925 -5.065 1.00 0.00 C ATOM 689 CG HIS A 48 7.245 -10.024 -4.171 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.079 -10.982 -3.636 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.003 -10.313 -3.717 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.371 -11.814 -2.893 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.108 -11.430 -2.926 1.00 0.00 N ATOM 0 H HIS A 48 8.464 -7.134 -2.594 1.00 0.00 H new ATOM 0 HA HIS A 48 9.463 -8.700 -3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.888 -8.286 -5.331 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.105 -9.360 -5.992 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.098 -9.766 -3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.759 -12.664 -2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.336 -11.889 -2.442 1.00 0.00 H new ATOM 702 N GLY A 49 10.472 -6.433 -5.159 1.00 0.00 N ATOM 703 CA GLY A 49 11.331 -5.766 -6.120 1.00 0.00 C ATOM 704 C GLY A 49 10.547 -5.099 -7.233 1.00 0.00 C ATOM 705 O GLY A 49 11.073 -4.872 -8.323 1.00 0.00 O ATOM 0 H GLY A 49 10.526 -6.066 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.934 -5.018 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.022 -6.491 -6.550 1.00 0.00 H new ATOM 709 N HIS A 50 9.284 -4.786 -6.960 1.00 0.00 N ATOM 710 CA HIS A 50 8.426 -4.142 -7.948 1.00 0.00 C ATOM 711 C HIS A 50 7.796 -2.875 -7.377 1.00 0.00 C ATOM 712 O HIS A 50 7.458 -2.817 -6.195 1.00 0.00 O ATOM 713 CB HIS A 50 7.333 -5.106 -8.410 1.00 0.00 C ATOM 714 CG HIS A 50 7.847 -6.242 -9.239 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.002 -7.554 -8.944 1.00 0.00 N flip ATOM 716 CD2 HIS A 50 8.277 -6.091 -10.540 1.00 0.00 C flip ATOM 717 CE1 HIS A 50 8.515 -8.165 -10.061 1.00 0.00 C flip ATOM 718 NE2 HIS A 50 8.671 -7.260 -11.011 1.00 0.00 N flip ATOM 0 H HIS A 50 8.833 -4.968 -6.064 1.00 0.00 H new ATOM 0 HA HIS A 50 9.042 -3.866 -8.804 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.821 -5.508 -7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.592 -4.552 -8.987 1.00 0.00 H new ATOM 0 HD1 HIS A 50 7.779 -8.005 -8.057 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.290 -5.161 -11.089 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.753 -9.215 -10.149 1.00 0.00 H new ATOM 727 N SER A 51 7.641 -1.863 -8.224 1.00 0.00 N ATOM 728 CA SER A 51 7.056 -0.596 -7.803 1.00 0.00 C ATOM 729 C SER A 51 5.740 -0.336 -8.531 1.00 0.00 C ATOM 730 O SER A 51 5.721 -0.110 -9.740 1.00 0.00 O ATOM 731 CB SER A 51 8.032 0.553 -8.065 1.00 0.00 C ATOM 732 OG SER A 51 8.347 0.650 -9.443 1.00 0.00 O ATOM 0 H SER A 51 7.913 -1.896 -9.207 1.00 0.00 H new ATOM 0 HA SER A 51 6.854 -0.655 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.595 1.491 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.945 0.397 -7.490 1.00 0.00 H new ATOM 0 HG SER A 51 7.567 0.391 -9.976 1.00 0.00 H new ATOM 738 N GLY A 52 4.641 -0.371 -7.784 1.00 0.00 N ATOM 739 CA GLY A 52 3.336 -0.138 -8.373 1.00 0.00 C ATOM 740 C GLY A 52 2.357 0.477 -7.392 1.00 0.00 C ATOM 741 O GLY A 52 2.713 0.768 -6.250 1.00 0.00 O ATOM 0 H GLY A 52 4.631 -0.557 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.443 0.520 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.933 -1.082 -8.740 1.00 0.00 H new ATOM 745 N PHE A 53 1.121 0.676 -7.838 1.00 0.00 N ATOM 746 CA PHE A 53 0.089 1.263 -6.991 1.00 0.00 C ATOM 747 C PHE A 53 -0.932 0.210 -6.570 1.00 0.00 C ATOM 748 O PHE A 53 -1.266 -0.691 -7.340 1.00 0.00 O ATOM 749 CB PHE A 53 -0.614 2.406 -7.726 1.00 0.00 C ATOM 750 CG PHE A 53 0.268 3.118 -8.711 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.492 3.634 -8.318 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.127 3.271 -10.031 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.306 4.290 -9.222 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.683 3.926 -10.940 1.00 0.00 C ATOM 755 CZ PHE A 53 1.901 4.435 -10.535 1.00 0.00 C ATOM 0 H PHE A 53 0.810 0.440 -8.780 1.00 0.00 H new ATOM 0 HA PHE A 53 0.569 1.657 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.484 2.010 -8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.983 3.125 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.814 3.522 -7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.078 2.874 -10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.257 4.689 -8.902 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.364 4.039 -11.965 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.536 4.946 -11.244 1.00 0.00 H new ATOM 765 N PHE A 54 -1.424 0.330 -5.341 1.00 0.00 N ATOM 766 CA PHE A 54 -2.405 -0.612 -4.815 1.00 0.00 C ATOM 767 C PHE A 54 -3.515 0.121 -4.067 1.00 0.00 C ATOM 768 O PHE A 54 -3.324 1.216 -3.538 1.00 0.00 O ATOM 769 CB PHE A 54 -1.728 -1.621 -3.886 1.00 0.00 C ATOM 770 CG PHE A 54 -0.851 -0.985 -2.846 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.374 -0.440 -3.194 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.252 -0.931 -1.521 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.184 0.147 -2.240 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.447 -0.345 -0.563 1.00 0.00 C ATOM 775 CZ PHE A 54 0.773 0.194 -0.922 1.00 0.00 C ATOM 0 H PHE A 54 -1.159 1.070 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.848 -1.145 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.494 -2.216 -3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.129 -2.308 -4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.700 -0.474 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.204 -1.352 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.137 0.568 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.772 -0.308 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.404 0.651 -0.174 1.00 0.00 H new ATOM 785 N PRO A 55 -4.705 -0.497 -4.021 1.00 0.00 N ATOM 786 CA PRO A 55 -5.869 0.077 -3.341 1.00 0.00 C ATOM 787 C PRO A 55 -5.707 0.089 -1.824 1.00 0.00 C ATOM 788 O PRO A 55 -4.973 -0.725 -1.263 1.00 0.00 O ATOM 789 CB PRO A 55 -7.014 -0.854 -3.748 1.00 0.00 C ATOM 790 CG PRO A 55 -6.352 -2.152 -4.061 1.00 0.00 C ATOM 791 CD PRO A 55 -5.005 -1.804 -4.630 1.00 0.00 C ATOM 0 HA PRO A 55 -6.029 1.119 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.740 -0.964 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.552 -0.465 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.251 -2.764 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.940 -2.728 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.254 -2.550 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.032 -1.744 -5.718 1.00 0.00 H new ATOM 799 N ILE A 56 -6.396 1.016 -1.168 1.00 0.00 N ATOM 800 CA ILE A 56 -6.329 1.132 0.284 1.00 0.00 C ATOM 801 C ILE A 56 -7.486 0.394 0.948 1.00 0.00 C ATOM 802 O ILE A 56 -7.390 -0.021 2.102 1.00 0.00 O ATOM 803 CB ILE A 56 -6.349 2.605 0.732 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.214 3.381 0.061 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.239 2.699 2.247 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.337 4.881 0.211 1.00 0.00 C ATOM 0 H ILE A 56 -7.007 1.698 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.387 0.679 0.594 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.297 3.049 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.263 3.058 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.191 3.131 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.254 3.746 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.079 2.177 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.305 2.241 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.499 5.367 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.271 5.216 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.330 5.143 1.269 1.00 0.00 H new ATOM 818 N ASN A 57 -8.580 0.233 0.210 1.00 0.00 N ATOM 819 CA ASN A 57 -9.756 -0.457 0.728 1.00 0.00 C ATOM 820 C ASN A 57 -9.455 -1.930 0.983 1.00 0.00 C ATOM 821 O ASN A 57 -10.293 -2.665 1.507 1.00 0.00 O ATOM 822 CB ASN A 57 -10.922 -0.326 -0.254 1.00 0.00 C ATOM 823 CG ASN A 57 -10.868 -1.365 -1.358 1.00 0.00 C ATOM 824 OD1 ASN A 57 -10.949 -2.566 -1.100 1.00 0.00 O ATOM 825 ND2 ASN A 57 -10.730 -0.905 -2.596 1.00 0.00 N ATOM 0 H ASN A 57 -8.676 0.571 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.032 0.008 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.863 -0.424 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.911 0.670 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.687 -1.556 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.667 0.099 -2.763 1.00 0.00 H new ATOM 832 N TYR A 58 -8.252 -2.355 0.611 1.00 0.00 N ATOM 833 CA TYR A 58 -7.840 -3.741 0.798 1.00 0.00 C ATOM 834 C TYR A 58 -6.750 -3.847 1.860 1.00 0.00 C ATOM 835 O TYR A 58 -6.532 -4.911 2.440 1.00 0.00 O ATOM 836 CB TYR A 58 -7.340 -4.329 -0.523 1.00 0.00 C ATOM 837 CG TYR A 58 -8.451 -4.765 -1.451 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.133 -5.957 -1.238 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.819 -3.985 -2.540 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.148 -6.360 -2.084 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.834 -4.379 -3.390 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.495 -5.567 -3.159 1.00 0.00 C ATOM 843 OH TYR A 58 -11.507 -5.964 -4.003 1.00 0.00 O ATOM 0 H TYR A 58 -7.546 -1.760 0.178 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.707 -4.309 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.724 -3.587 -1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.699 -5.184 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.865 -6.579 -0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.303 -3.055 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.667 -7.290 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.109 -3.760 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.627 -5.294 -4.708 1.00 0.00 H new ATOM 853 N VAL A 59 -6.067 -2.734 2.110 1.00 0.00 N ATOM 854 CA VAL A 59 -5.000 -2.699 3.103 1.00 0.00 C ATOM 855 C VAL A 59 -5.258 -1.620 4.149 1.00 0.00 C ATOM 856 O VAL A 59 -5.843 -0.580 3.850 1.00 0.00 O ATOM 857 CB VAL A 59 -3.630 -2.444 2.446 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.261 -3.592 1.519 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.638 -1.122 1.695 1.00 0.00 C ATOM 0 H VAL A 59 -6.234 -1.845 1.639 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.986 -3.675 3.588 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.875 -2.385 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.290 -3.395 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.212 -4.519 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.016 -3.686 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.663 -0.958 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.403 -1.149 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.854 -0.310 2.390 1.00 0.00 H new ATOM 869 N GLU A 60 -4.817 -1.877 5.377 1.00 0.00 N ATOM 870 CA GLU A 60 -5.002 -0.927 6.468 1.00 0.00 C ATOM 871 C GLU A 60 -3.702 -0.185 6.769 1.00 0.00 C ATOM 872 O GLU A 60 -2.624 -0.780 6.777 1.00 0.00 O ATOM 873 CB GLU A 60 -5.493 -1.648 7.724 1.00 0.00 C ATOM 874 CG GLU A 60 -6.289 -0.759 8.664 1.00 0.00 C ATOM 875 CD GLU A 60 -6.937 -1.536 9.794 1.00 0.00 C ATOM 876 OE1 GLU A 60 -6.235 -1.842 10.781 1.00 0.00 O ATOM 877 OE2 GLU A 60 -8.144 -1.839 9.691 1.00 0.00 O ATOM 0 H GLU A 60 -4.330 -2.734 5.641 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.753 -0.200 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.112 -2.495 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.634 -2.052 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.631 0.002 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.061 -0.237 8.098 1.00 0.00 H new ATOM 884 N ILE A 61 -3.814 1.115 7.015 1.00 0.00 N ATOM 885 CA ILE A 61 -2.649 1.938 7.317 1.00 0.00 C ATOM 886 C ILE A 61 -2.339 1.925 8.810 1.00 0.00 C ATOM 887 O ILE A 61 -2.999 2.605 9.598 1.00 0.00 O ATOM 888 CB ILE A 61 -2.853 3.394 6.859 1.00 0.00 C ATOM 889 CG1 ILE A 61 -2.914 3.467 5.332 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.737 4.279 7.393 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.699 2.878 4.650 1.00 0.00 C ATOM 0 H ILE A 61 -4.699 1.622 7.011 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.810 1.509 6.770 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.800 3.756 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.805 2.942 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.021 4.509 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.896 5.305 7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.737 4.247 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.778 3.921 7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.811 2.964 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.807 3.418 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.603 1.827 4.922 1.00 0.00 H new ATOM 903 N LEU A 62 -1.332 1.149 9.194 1.00 0.00 N ATOM 904 CA LEU A 62 -0.932 1.049 10.593 1.00 0.00 C ATOM 905 C LEU A 62 -0.110 2.264 11.013 1.00 0.00 C ATOM 906 O LEU A 62 -0.283 2.794 12.111 1.00 0.00 O ATOM 907 CB LEU A 62 -0.127 -0.230 10.824 1.00 0.00 C ATOM 908 CG LEU A 62 -0.671 -1.495 10.159 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.324 -2.638 10.290 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.012 -1.882 10.767 1.00 0.00 C ATOM 0 H LEU A 62 -0.777 0.579 8.556 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.836 1.017 11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.890 -0.065 10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.064 -0.407 11.898 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.820 -1.290 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.081 -3.529 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.262 -2.361 9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.505 -2.844 11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.385 -2.784 10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.888 -2.068 11.834 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.725 -1.071 10.621 1.00 0.00 H new ATOM 922 N VAL A 63 0.783 2.701 10.131 1.00 0.00 N ATOM 923 CA VAL A 63 1.629 3.856 10.409 1.00 0.00 C ATOM 924 C VAL A 63 1.341 4.995 9.437 1.00 0.00 C ATOM 925 O VAL A 63 1.576 4.874 8.235 1.00 0.00 O ATOM 926 CB VAL A 63 3.123 3.490 10.324 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.977 4.746 10.251 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.528 2.629 11.511 1.00 0.00 C ATOM 0 H VAL A 63 0.939 2.273 9.218 1.00 0.00 H new ATOM 0 HA VAL A 63 1.398 4.181 11.424 1.00 0.00 H new ATOM 0 HB VAL A 63 3.287 2.914 9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.029 4.468 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.703 5.321 9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.812 5.351 11.143 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.586 2.379 11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.350 3.177 12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.938 1.712 11.513 1.00 0.00 H new ATOM 938 N ALA A 64 0.830 6.102 9.967 1.00 0.00 N ATOM 939 CA ALA A 64 0.512 7.264 9.147 1.00 0.00 C ATOM 940 C ALA A 64 1.772 7.864 8.532 1.00 0.00 C ATOM 941 O ALA A 64 2.740 8.157 9.236 1.00 0.00 O ATOM 942 CB ALA A 64 -0.223 8.308 9.975 1.00 0.00 C ATOM 0 H ALA A 64 0.628 6.218 10.960 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.137 6.938 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.455 9.171 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.148 7.881 10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.407 8.621 10.808 1.00 0.00 H new ATOM 948 N LEU A 65 1.754 8.044 7.216 1.00 0.00 N ATOM 949 CA LEU A 65 2.897 8.609 6.506 1.00 0.00 C ATOM 950 C LEU A 65 3.307 9.947 7.113 1.00 0.00 C ATOM 951 O LEU A 65 2.501 10.658 7.713 1.00 0.00 O ATOM 952 CB LEU A 65 2.563 8.789 5.024 1.00 0.00 C ATOM 953 CG LEU A 65 2.505 7.509 4.189 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.626 7.710 2.965 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.905 7.078 3.778 1.00 0.00 C ATOM 0 H LEU A 65 0.961 7.807 6.619 1.00 0.00 H new ATOM 0 HA LEU A 65 3.733 7.916 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.599 9.293 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.306 9.454 4.583 1.00 0.00 H new ATOM 0 HG LEU A 65 2.067 6.719 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.597 6.789 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.616 7.972 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.034 8.514 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.845 6.166 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.369 7.866 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.505 6.893 4.669 1.00 0.00 H new ATOM 967 N PRO A 66 4.591 10.301 6.952 1.00 0.00 N ATOM 968 CA PRO A 66 5.138 11.557 7.474 1.00 0.00 C ATOM 969 C PRO A 66 4.606 12.775 6.727 1.00 0.00 C ATOM 970 O PRO A 66 4.901 13.915 7.088 1.00 0.00 O ATOM 971 CB PRO A 66 6.645 11.408 7.251 1.00 0.00 C ATOM 972 CG PRO A 66 6.767 10.451 6.115 1.00 0.00 C ATOM 973 CD PRO A 66 5.608 9.502 6.247 1.00 0.00 C ATOM 0 HA PRO A 66 4.862 11.720 8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.107 12.366 7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.142 11.028 8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.736 10.974 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.716 9.916 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.251 9.166 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.881 8.610 6.812 1.00 0.00 H new ATOM 981 N HIS A 67 3.821 12.528 5.683 1.00 0.00 N ATOM 982 CA HIS A 67 3.247 13.605 4.885 1.00 0.00 C ATOM 983 C HIS A 67 1.854 13.231 4.388 1.00 0.00 C ATOM 984 O HIS A 67 1.706 12.394 3.498 1.00 0.00 O ATOM 985 CB HIS A 67 4.155 13.928 3.698 1.00 0.00 C ATOM 986 CG HIS A 67 4.074 15.356 3.253 1.00 0.00 C ATOM 987 ND1 HIS A 67 4.209 15.743 1.937 1.00 0.00 N ATOM 988 CD2 HIS A 67 3.870 16.493 3.959 1.00 0.00 C ATOM 989 CE1 HIS A 67 4.092 17.057 1.852 1.00 0.00 C ATOM 990 NE2 HIS A 67 3.886 17.536 3.065 1.00 0.00 N ATOM 0 H HIS A 67 3.568 11.591 5.370 1.00 0.00 H new ATOM 0 HA HIS A 67 3.162 14.488 5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.186 13.698 3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.891 13.280 2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.722 16.566 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.154 17.640 0.945 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.759 18.520 3.300 1.00 0.00 H new ATOM 999 N SER A 68 0.836 13.857 4.969 1.00 0.00 N ATOM 1000 CA SER A 68 -0.546 13.587 4.589 1.00 0.00 C ATOM 1001 C SER A 68 -1.054 14.637 3.606 1.00 0.00 C ATOM 1002 O SER A 68 -1.369 14.328 2.457 1.00 0.00 O ATOM 1003 CB SER A 68 -1.442 13.556 5.828 1.00 0.00 C ATOM 1004 OG SER A 68 -1.432 14.806 6.496 1.00 0.00 O ATOM 0 H SER A 68 0.942 14.555 5.705 1.00 0.00 H new ATOM 0 HA SER A 68 -0.579 12.612 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.462 13.304 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.102 12.774 6.507 1.00 0.00 H new ATOM 0 HG SER A 68 -2.014 14.761 7.283 1.00 0.00 H new ATOM 1010 N GLY A 69 -1.131 15.882 4.067 1.00 0.00 N ATOM 1011 CA GLY A 69 -1.602 16.960 3.217 1.00 0.00 C ATOM 1012 C GLY A 69 -2.971 17.465 3.625 1.00 0.00 C ATOM 1013 O GLY A 69 -3.406 17.290 4.764 1.00 0.00 O ATOM 0 H GLY A 69 -0.876 16.163 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.889 17.784 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.639 16.614 2.184 1.00 0.00 H new ATOM 1017 N PRO A 70 -3.675 18.108 2.682 1.00 0.00 N ATOM 1018 CA PRO A 70 -5.013 18.654 2.927 1.00 0.00 C ATOM 1019 C PRO A 70 -6.062 17.562 3.102 1.00 0.00 C ATOM 1020 O PRO A 70 -6.057 16.563 2.382 1.00 0.00 O ATOM 1021 CB PRO A 70 -5.298 19.473 1.665 1.00 0.00 C ATOM 1022 CG PRO A 70 -4.457 18.845 0.608 1.00 0.00 C ATOM 1023 CD PRO A 70 -3.218 18.352 1.303 1.00 0.00 C ATOM 0 HA PRO A 70 -5.053 19.236 3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.355 19.439 1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.038 20.522 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.986 18.024 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.207 19.565 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.832 17.443 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.417 19.091 1.270 1.00 0.00 H new ATOM 1031 N SER A 71 -6.960 17.758 4.062 1.00 0.00 N ATOM 1032 CA SER A 71 -8.013 16.787 4.333 1.00 0.00 C ATOM 1033 C SER A 71 -9.114 16.870 3.280 1.00 0.00 C ATOM 1034 O SER A 71 -9.175 17.825 2.505 1.00 0.00 O ATOM 1035 CB SER A 71 -8.605 17.020 5.725 1.00 0.00 C ATOM 1036 OG SER A 71 -7.843 16.359 6.720 1.00 0.00 O ATOM 0 H SER A 71 -6.979 18.580 4.665 1.00 0.00 H new ATOM 0 HA SER A 71 -7.572 15.791 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.636 18.089 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.634 16.660 5.751 1.00 0.00 H new ATOM 0 HG SER A 71 -8.241 16.525 7.600 1.00 0.00 H new ATOM 1042 N SER A 72 -9.981 15.863 3.258 1.00 0.00 N ATOM 1043 CA SER A 72 -11.077 15.819 2.298 1.00 0.00 C ATOM 1044 C SER A 72 -12.249 16.673 2.773 1.00 0.00 C ATOM 1045 O SER A 72 -12.544 16.734 3.965 1.00 0.00 O ATOM 1046 CB SER A 72 -11.537 14.376 2.082 1.00 0.00 C ATOM 1047 OG SER A 72 -10.582 13.643 1.335 1.00 0.00 O ATOM 0 H SER A 72 -9.946 15.067 3.894 1.00 0.00 H new ATOM 0 HA SER A 72 -10.715 16.222 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.697 13.894 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.494 14.370 1.560 1.00 0.00 H new ATOM 0 HG SER A 72 -10.898 12.724 1.212 1.00 0.00 H new ATOM 1053 N GLY A 73 -12.915 17.331 1.828 1.00 0.00 N ATOM 1054 CA GLY A 73 -14.047 18.173 2.168 1.00 0.00 C ATOM 1055 C GLY A 73 -13.627 19.466 2.839 1.00 0.00 C ATOM 1056 O GLY A 73 -13.279 19.475 4.020 1.00 0.00 O ATOM 0 H GLY A 73 -12.691 17.296 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.610 18.403 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.718 17.625 2.830 1.00 0.00 H new TER 1060 GLY A 73