USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 494 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 37 HIS : no HE2:sc= -7.58! C(o=-7.6!,f=-13!) USER MOD Set 1.2: A 44 TYR OH : rot 130: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 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 12:sc= 0.0155 USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0.00579 (180deg=0.00482) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 94:sc= 0.22 USER MOD Single : A 42 GLN : amide:sc= -0.235 K(o=-0.23,f=-2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 97:sc= 0.724 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -0.0317 (180deg=-0.0317) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00553 X(o=-0.0055,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 0.779 (180deg=0.298) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.361 1.375 29.401 1.00 0.00 N ATOM 2 CA GLY A 1 -13.180 0.410 28.333 1.00 0.00 C ATOM 3 C GLY A 1 -13.644 0.936 26.990 1.00 0.00 C ATOM 4 O GLY A 1 -12.951 1.732 26.355 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.028 0.967 30.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.815 2.234 29.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.369 1.617 29.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.127 0.138 28.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.730 -0.500 28.573 1.00 0.00 H new ATOM 8 N SER A 2 -14.818 0.491 26.555 1.00 0.00 N ATOM 9 CA SER A 2 -15.371 0.919 25.275 1.00 0.00 C ATOM 10 C SER A 2 -15.981 2.313 25.385 1.00 0.00 C ATOM 11 O SER A 2 -16.915 2.534 26.156 1.00 0.00 O ATOM 12 CB SER A 2 -16.429 -0.077 24.794 1.00 0.00 C ATOM 13 OG SER A 2 -16.533 -0.067 23.381 1.00 0.00 O ATOM 0 H SER A 2 -15.405 -0.166 27.070 1.00 0.00 H new ATOM 0 HA SER A 2 -14.558 0.954 24.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.171 -1.079 25.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.394 0.172 25.235 1.00 0.00 H new ATOM 0 HG SER A 2 -17.214 -0.713 23.099 1.00 0.00 H new ATOM 19 N SER A 3 -15.446 3.249 24.609 1.00 0.00 N ATOM 20 CA SER A 3 -15.934 4.623 24.621 1.00 0.00 C ATOM 21 C SER A 3 -15.728 5.285 23.262 1.00 0.00 C ATOM 22 O SER A 3 -14.915 4.835 22.457 1.00 0.00 O ATOM 23 CB SER A 3 -15.220 5.431 25.708 1.00 0.00 C ATOM 24 OG SER A 3 -13.818 5.433 25.503 1.00 0.00 O ATOM 0 H SER A 3 -14.674 3.081 23.964 1.00 0.00 H new ATOM 0 HA SER A 3 -17.002 4.601 24.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.592 6.455 25.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.447 5.010 26.687 1.00 0.00 H new ATOM 0 HG SER A 3 -13.385 5.957 26.209 1.00 0.00 H new ATOM 30 N GLY A 4 -16.473 6.358 23.015 1.00 0.00 N ATOM 31 CA GLY A 4 -16.359 7.066 21.753 1.00 0.00 C ATOM 32 C GLY A 4 -15.244 8.093 21.763 1.00 0.00 C ATOM 33 O GLY A 4 -14.515 8.237 20.781 1.00 0.00 O ATOM 0 H GLY A 4 -17.153 6.750 23.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.181 6.348 20.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.304 7.562 21.532 1.00 0.00 H new ATOM 37 N SER A 5 -15.112 8.810 22.874 1.00 0.00 N ATOM 38 CA SER A 5 -14.081 9.833 23.005 1.00 0.00 C ATOM 39 C SER A 5 -12.765 9.360 22.396 1.00 0.00 C ATOM 40 O SER A 5 -12.195 10.024 21.530 1.00 0.00 O ATOM 41 CB SER A 5 -13.875 10.192 24.478 1.00 0.00 C ATOM 42 OG SER A 5 -13.344 11.499 24.615 1.00 0.00 O ATOM 0 H SER A 5 -15.706 8.702 23.696 1.00 0.00 H new ATOM 0 HA SER A 5 -14.412 10.720 22.465 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.825 10.125 25.008 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.200 9.472 24.940 1.00 0.00 H new ATOM 0 HG SER A 5 -13.223 11.705 25.565 1.00 0.00 H new ATOM 48 N SER A 6 -12.288 8.207 22.855 1.00 0.00 N ATOM 49 CA SER A 6 -11.037 7.646 22.359 1.00 0.00 C ATOM 50 C SER A 6 -11.029 7.602 20.834 1.00 0.00 C ATOM 51 O SER A 6 -11.859 6.937 20.216 1.00 0.00 O ATOM 52 CB SER A 6 -10.826 6.239 22.922 1.00 0.00 C ATOM 53 OG SER A 6 -9.452 5.895 22.934 1.00 0.00 O ATOM 0 H SER A 6 -12.749 7.644 23.569 1.00 0.00 H new ATOM 0 HA SER A 6 -10.222 8.289 22.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.226 6.185 23.934 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.380 5.517 22.322 1.00 0.00 H new ATOM 0 HG SER A 6 -9.344 4.992 23.300 1.00 0.00 H new ATOM 59 N GLY A 7 -10.082 8.317 20.233 1.00 0.00 N ATOM 60 CA GLY A 7 -9.982 8.348 18.786 1.00 0.00 C ATOM 61 C GLY A 7 -9.898 9.759 18.240 1.00 0.00 C ATOM 62 O GLY A 7 -10.048 10.729 18.982 1.00 0.00 O ATOM 0 H GLY A 7 -9.383 8.875 20.723 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.100 7.788 18.474 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.848 7.846 18.354 1.00 0.00 H new ATOM 66 N MET A 8 -9.656 9.875 16.938 1.00 0.00 N ATOM 67 CA MET A 8 -9.552 11.179 16.294 1.00 0.00 C ATOM 68 C MET A 8 -10.848 11.534 15.572 1.00 0.00 C ATOM 69 O MET A 8 -11.658 10.669 15.239 1.00 0.00 O ATOM 70 CB MET A 8 -8.384 11.192 15.305 1.00 0.00 C ATOM 71 CG MET A 8 -7.048 11.527 15.948 1.00 0.00 C ATOM 72 SD MET A 8 -6.195 10.068 16.577 1.00 0.00 S ATOM 73 CE MET A 8 -4.506 10.664 16.639 1.00 0.00 C ATOM 0 H MET A 8 -9.528 9.082 16.309 1.00 0.00 H new ATOM 0 HA MET A 8 -9.372 11.925 17.068 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.313 10.215 14.826 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.592 11.918 14.519 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.413 12.028 15.217 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.209 12.230 16.765 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.854 9.873 17.010 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.187 10.958 15.639 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.448 11.524 17.306 1.00 0.00 H new ATOM 83 N PRO A 9 -11.050 12.836 15.323 1.00 0.00 N ATOM 84 CA PRO A 9 -12.247 13.335 14.638 1.00 0.00 C ATOM 85 C PRO A 9 -12.273 12.948 13.163 1.00 0.00 C ATOM 86 O PRO A 9 -13.303 13.066 12.499 1.00 0.00 O ATOM 87 CB PRO A 9 -12.136 14.854 14.791 1.00 0.00 C ATOM 88 CG PRO A 9 -10.678 15.113 14.956 1.00 0.00 C ATOM 89 CD PRO A 9 -10.127 13.923 15.691 1.00 0.00 C ATOM 0 HA PRO A 9 -13.162 12.917 15.058 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.533 15.370 13.917 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.701 15.207 15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.191 15.234 13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.506 16.032 15.516 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.104 13.701 15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.111 14.089 16.768 1.00 0.00 H new ATOM 97 N SER A 10 -11.134 12.487 12.656 1.00 0.00 N ATOM 98 CA SER A 10 -11.027 12.086 11.258 1.00 0.00 C ATOM 99 C SER A 10 -10.179 10.826 11.118 1.00 0.00 C ATOM 100 O SER A 10 -9.133 10.694 11.754 1.00 0.00 O ATOM 101 CB SER A 10 -10.419 13.218 10.427 1.00 0.00 C ATOM 102 OG SER A 10 -11.374 14.234 10.174 1.00 0.00 O ATOM 0 H SER A 10 -10.273 12.382 13.192 1.00 0.00 H new ATOM 0 HA SER A 10 -12.030 11.871 10.889 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.564 13.641 10.954 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.047 12.821 9.483 1.00 0.00 H new ATOM 0 HG SER A 10 -12.164 14.088 10.735 1.00 0.00 H new ATOM 108 N ARG A 11 -10.639 9.901 10.282 1.00 0.00 N ATOM 109 CA ARG A 11 -9.925 8.650 10.058 1.00 0.00 C ATOM 110 C ARG A 11 -8.537 8.911 9.481 1.00 0.00 C ATOM 111 O ARG A 11 -8.381 9.691 8.541 1.00 0.00 O ATOM 112 CB ARG A 11 -10.720 7.746 9.114 1.00 0.00 C ATOM 113 CG ARG A 11 -10.166 6.334 9.013 1.00 0.00 C ATOM 114 CD ARG A 11 -11.234 5.347 8.567 1.00 0.00 C ATOM 115 NE ARG A 11 -11.979 5.834 7.409 1.00 0.00 N ATOM 116 CZ ARG A 11 -12.985 5.170 6.850 1.00 0.00 C ATOM 117 NH1 ARG A 11 -13.364 3.998 7.341 1.00 0.00 N ATOM 118 NH2 ARG A 11 -13.615 5.678 5.799 1.00 0.00 N ATOM 0 H ARG A 11 -11.503 9.995 9.748 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.811 8.149 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.754 7.698 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.733 8.194 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.336 6.317 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.768 6.028 9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.767 4.393 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.924 5.162 9.391 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.712 6.733 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.883 3.604 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.137 3.490 6.910 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.327 6.580 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.387 5.167 5.371 1.00 0.00 H new ATOM 132 N LYS A 12 -7.532 8.255 10.050 1.00 0.00 N ATOM 133 CA LYS A 12 -6.157 8.415 9.593 1.00 0.00 C ATOM 134 C LYS A 12 -6.071 8.296 8.075 1.00 0.00 C ATOM 135 O LYS A 12 -5.247 8.952 7.437 1.00 0.00 O ATOM 136 CB LYS A 12 -5.254 7.368 10.250 1.00 0.00 C ATOM 137 CG LYS A 12 -3.821 7.833 10.439 1.00 0.00 C ATOM 138 CD LYS A 12 -2.892 6.669 10.739 1.00 0.00 C ATOM 139 CE LYS A 12 -2.811 6.391 12.233 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.771 5.374 12.552 1.00 0.00 N ATOM 0 H LYS A 12 -7.644 7.607 10.829 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.818 9.410 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.671 7.099 11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.256 6.464 9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.483 8.347 9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.776 8.555 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.245 5.777 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.896 6.888 10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.588 7.317 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.780 6.044 12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.793 5.163 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.959 4.504 12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.833 5.744 12.295 1.00 0.00 H new ATOM 154 N PHE A 13 -6.926 7.456 7.503 1.00 0.00 N ATOM 155 CA PHE A 13 -6.947 7.252 6.059 1.00 0.00 C ATOM 156 C PHE A 13 -8.375 7.303 5.523 1.00 0.00 C ATOM 157 O PHE A 13 -9.202 6.451 5.847 1.00 0.00 O ATOM 158 CB PHE A 13 -6.305 5.909 5.703 1.00 0.00 C ATOM 159 CG PHE A 13 -5.056 5.617 6.485 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.889 6.324 6.243 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.049 4.635 7.462 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.739 6.056 6.960 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.902 4.362 8.183 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.745 5.075 7.932 1.00 0.00 C ATOM 0 H PHE A 13 -7.614 6.905 8.017 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.374 8.055 5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.028 5.112 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.069 5.899 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.878 7.093 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.951 4.076 7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.836 6.613 6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.910 3.593 8.941 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.847 4.865 8.495 1.00 0.00 H new ATOM 174 N ALA A 14 -8.656 8.309 4.701 1.00 0.00 N ATOM 175 CA ALA A 14 -9.983 8.472 4.119 1.00 0.00 C ATOM 176 C ALA A 14 -10.344 7.282 3.235 1.00 0.00 C ATOM 177 O ALA A 14 -9.494 6.448 2.923 1.00 0.00 O ATOM 178 CB ALA A 14 -10.054 9.765 3.321 1.00 0.00 C ATOM 0 H ALA A 14 -7.983 9.023 4.423 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.707 8.520 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.050 9.874 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.848 10.610 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.315 9.739 2.520 1.00 0.00 H new ATOM 184 N ASP A 15 -11.609 7.210 2.837 1.00 0.00 N ATOM 185 CA ASP A 15 -12.083 6.122 1.989 1.00 0.00 C ATOM 186 C ASP A 15 -11.614 6.312 0.550 1.00 0.00 C ATOM 187 O ASP A 15 -11.735 7.398 -0.015 1.00 0.00 O ATOM 188 CB ASP A 15 -13.609 6.039 2.035 1.00 0.00 C ATOM 189 CG ASP A 15 -14.272 7.341 1.632 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.419 7.581 0.414 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.646 8.120 2.533 1.00 0.00 O ATOM 0 H ASP A 15 -12.325 7.892 3.088 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.665 5.189 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.947 5.242 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.925 5.770 3.043 1.00 0.00 H new ATOM 196 N GLY A 16 -11.078 5.247 -0.038 1.00 0.00 N ATOM 197 CA GLY A 16 -10.598 5.317 -1.406 1.00 0.00 C ATOM 198 C GLY A 16 -9.214 5.928 -1.504 1.00 0.00 C ATOM 199 O GLY A 16 -8.507 5.721 -2.490 1.00 0.00 O ATOM 0 H GLY A 16 -10.968 4.337 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.580 4.314 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.295 5.906 -2.003 1.00 0.00 H new ATOM 203 N GLU A 17 -8.828 6.683 -0.481 1.00 0.00 N ATOM 204 CA GLU A 17 -7.520 7.328 -0.458 1.00 0.00 C ATOM 205 C GLU A 17 -6.422 6.344 -0.854 1.00 0.00 C ATOM 206 O GLU A 17 -6.464 5.169 -0.488 1.00 0.00 O ATOM 207 CB GLU A 17 -7.232 7.899 0.932 1.00 0.00 C ATOM 208 CG GLU A 17 -6.230 9.041 0.925 1.00 0.00 C ATOM 209 CD GLU A 17 -6.736 10.257 0.175 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.386 11.116 0.806 1.00 0.00 O ATOM 211 OE2 GLU A 17 -6.482 10.350 -1.045 1.00 0.00 O ATOM 0 H GLU A 17 -9.402 6.863 0.343 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.532 8.143 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.166 8.249 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.856 7.101 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.999 9.323 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.300 8.700 0.471 1.00 0.00 H new ATOM 218 N VAL A 18 -5.440 6.833 -1.604 1.00 0.00 N ATOM 219 CA VAL A 18 -4.330 5.999 -2.050 1.00 0.00 C ATOM 220 C VAL A 18 -3.137 6.123 -1.108 1.00 0.00 C ATOM 221 O VAL A 18 -2.319 7.033 -1.242 1.00 0.00 O ATOM 222 CB VAL A 18 -3.885 6.371 -3.476 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.720 5.499 -3.918 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.051 6.250 -4.446 1.00 0.00 C ATOM 0 H VAL A 18 -5.390 7.803 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.687 4.969 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.550 7.408 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.420 5.777 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.880 5.642 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.024 4.452 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.719 6.517 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.419 5.224 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.852 6.923 -4.138 1.00 0.00 H new ATOM 234 N VAL A 19 -3.044 5.201 -0.155 1.00 0.00 N ATOM 235 CA VAL A 19 -1.950 5.205 0.808 1.00 0.00 C ATOM 236 C VAL A 19 -1.036 4.002 0.607 1.00 0.00 C ATOM 237 O VAL A 19 -1.227 3.212 -0.317 1.00 0.00 O ATOM 238 CB VAL A 19 -2.477 5.200 2.256 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.255 6.475 2.546 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.339 3.971 2.504 1.00 0.00 C ATOM 0 H VAL A 19 -3.713 4.442 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.383 6.120 0.639 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.625 5.161 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.619 6.453 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.603 7.338 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.101 6.548 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.703 3.983 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.187 3.977 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.746 3.071 2.340 1.00 0.00 H new ATOM 250 N ARG A 20 -0.042 3.869 1.480 1.00 0.00 N ATOM 251 CA ARG A 20 0.903 2.761 1.398 1.00 0.00 C ATOM 252 C ARG A 20 0.684 1.775 2.541 1.00 0.00 C ATOM 253 O ARG A 20 0.583 2.167 3.702 1.00 0.00 O ATOM 254 CB ARG A 20 2.340 3.286 1.430 1.00 0.00 C ATOM 255 CG ARG A 20 2.689 4.179 0.251 1.00 0.00 C ATOM 256 CD ARG A 20 4.166 4.090 -0.097 1.00 0.00 C ATOM 257 NE ARG A 20 4.444 4.597 -1.438 1.00 0.00 N ATOM 258 CZ ARG A 20 5.607 4.434 -2.059 1.00 0.00 C ATOM 259 NH1 ARG A 20 6.595 3.781 -1.463 1.00 0.00 N ATOM 260 NH2 ARG A 20 5.784 4.924 -3.279 1.00 0.00 N ATOM 0 H ARG A 20 0.130 4.514 2.251 1.00 0.00 H new ATOM 0 HA ARG A 20 0.735 2.240 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.494 3.843 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.027 2.440 1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.092 3.891 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.431 5.212 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.745 4.657 0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.493 3.053 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 20 3.705 5.104 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.463 3.402 -0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.487 3.657 -1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.027 5.427 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.678 4.798 -3.754 1.00 0.00 H new ATOM 274 N GLY A 21 0.612 0.491 2.202 1.00 0.00 N ATOM 275 CA GLY A 21 0.406 -0.532 3.211 1.00 0.00 C ATOM 276 C GLY A 21 1.535 -1.543 3.251 1.00 0.00 C ATOM 277 O GLY A 21 2.091 -1.904 2.214 1.00 0.00 O ATOM 0 H GLY A 21 0.693 0.141 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.311 -0.060 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.533 -1.049 3.014 1.00 0.00 H new ATOM 281 N ARG A 22 1.875 -2.000 4.452 1.00 0.00 N ATOM 282 CA ARG A 22 2.947 -2.973 4.623 1.00 0.00 C ATOM 283 C ARG A 22 2.412 -4.397 4.509 1.00 0.00 C ATOM 284 O ARG A 22 1.781 -4.909 5.434 1.00 0.00 O ATOM 285 CB ARG A 22 3.628 -2.779 5.980 1.00 0.00 C ATOM 286 CG ARG A 22 4.879 -3.623 6.159 1.00 0.00 C ATOM 287 CD ARG A 22 5.541 -3.360 7.503 1.00 0.00 C ATOM 288 NE ARG A 22 6.365 -4.485 7.936 1.00 0.00 N ATOM 289 CZ ARG A 22 7.153 -4.450 9.005 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.223 -3.352 9.745 1.00 0.00 N ATOM 291 NH2 ARG A 22 7.873 -5.514 9.335 1.00 0.00 N ATOM 0 H ARG A 22 1.424 -1.712 5.320 1.00 0.00 H new ATOM 0 HA ARG A 22 3.678 -2.814 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.889 -1.727 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.919 -3.023 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.621 -4.679 6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.584 -3.406 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.158 -2.464 7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.774 -3.162 8.252 1.00 0.00 H new ATOM 0 HE ARG A 22 6.334 -5.345 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.671 -2.532 9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.829 -3.328 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.822 -6.360 8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.478 -5.486 10.156 1.00 0.00 H new ATOM 305 N TRP A 23 2.668 -5.030 3.370 1.00 0.00 N ATOM 306 CA TRP A 23 2.212 -6.395 3.135 1.00 0.00 C ATOM 307 C TRP A 23 2.240 -7.208 4.424 1.00 0.00 C ATOM 308 O TRP A 23 3.165 -7.106 5.231 1.00 0.00 O ATOM 309 CB TRP A 23 3.082 -7.070 2.073 1.00 0.00 C ATOM 310 CG TRP A 23 2.396 -8.208 1.379 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.599 -9.541 1.595 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.399 -8.112 0.356 1.00 0.00 C ATOM 313 NE1 TRP A 23 1.788 -10.280 0.768 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.042 -9.427 -0.001 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.772 -7.044 -0.291 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.087 -9.699 -0.977 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.175 -7.316 -1.260 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.511 -8.635 -1.595 1.00 0.00 C ATOM 0 H TRP A 23 3.189 -4.620 2.595 1.00 0.00 H new ATOM 0 HA TRP A 23 1.183 -6.351 2.778 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.379 -6.328 1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.995 -7.437 2.541 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.295 -9.954 2.311 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.748 -11.299 0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.023 -6.024 -0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.173 -10.715 -1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.665 -6.498 -1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.256 -8.815 -2.356 1.00 0.00 H new ATOM 329 N PRO A 24 1.205 -8.036 4.626 1.00 0.00 N ATOM 330 CA PRO A 24 1.089 -8.884 5.817 1.00 0.00 C ATOM 331 C PRO A 24 2.117 -10.009 5.829 1.00 0.00 C ATOM 332 O PRO A 24 2.135 -10.837 6.739 1.00 0.00 O ATOM 333 CB PRO A 24 -0.327 -9.454 5.710 1.00 0.00 C ATOM 334 CG PRO A 24 -0.641 -9.418 4.254 1.00 0.00 C ATOM 335 CD PRO A 24 0.067 -8.209 3.708 1.00 0.00 C ATOM 0 HA PRO A 24 1.269 -8.325 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.375 -10.471 6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.038 -8.859 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.300 -10.327 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.716 -9.349 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.399 -8.367 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.581 -7.333 3.702 1.00 0.00 H new ATOM 343 N GLY A 25 2.974 -10.033 4.813 1.00 0.00 N ATOM 344 CA GLY A 25 3.994 -11.062 4.727 1.00 0.00 C ATOM 345 C GLY A 25 5.387 -10.485 4.569 1.00 0.00 C ATOM 346 O GLY A 25 6.355 -11.028 5.101 1.00 0.00 O ATOM 0 H GLY A 25 2.980 -9.358 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.959 -11.680 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.777 -11.715 3.882 1.00 0.00 H new ATOM 350 N SER A 26 5.490 -9.382 3.834 1.00 0.00 N ATOM 351 CA SER A 26 6.775 -8.734 3.603 1.00 0.00 C ATOM 352 C SER A 26 6.899 -7.460 4.433 1.00 0.00 C ATOM 353 O SER A 26 5.933 -7.013 5.051 1.00 0.00 O ATOM 354 CB SER A 26 6.946 -8.408 2.118 1.00 0.00 C ATOM 355 OG SER A 26 8.315 -8.408 1.750 1.00 0.00 O ATOM 0 H SER A 26 4.698 -8.919 3.388 1.00 0.00 H new ATOM 0 HA SER A 26 7.562 -9.424 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.405 -9.139 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.509 -7.433 1.904 1.00 0.00 H new ATOM 0 HG SER A 26 8.397 -8.199 0.796 1.00 0.00 H new ATOM 361 N SER A 27 8.095 -6.880 4.441 1.00 0.00 N ATOM 362 CA SER A 27 8.347 -5.659 5.197 1.00 0.00 C ATOM 363 C SER A 27 8.478 -4.459 4.264 1.00 0.00 C ATOM 364 O SER A 27 9.181 -3.495 4.568 1.00 0.00 O ATOM 365 CB SER A 27 9.617 -5.807 6.037 1.00 0.00 C ATOM 366 OG SER A 27 10.710 -6.229 5.239 1.00 0.00 O ATOM 0 H SER A 27 8.904 -7.236 3.933 1.00 0.00 H new ATOM 0 HA SER A 27 7.499 -5.490 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.856 -4.855 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.446 -6.528 6.836 1.00 0.00 H new ATOM 0 HG SER A 27 11.510 -6.314 5.799 1.00 0.00 H new ATOM 372 N LEU A 28 7.796 -4.526 3.126 1.00 0.00 N ATOM 373 CA LEU A 28 7.834 -3.445 2.147 1.00 0.00 C ATOM 374 C LEU A 28 6.461 -2.799 1.994 1.00 0.00 C ATOM 375 O LEU A 28 5.442 -3.488 1.939 1.00 0.00 O ATOM 376 CB LEU A 28 8.315 -3.974 0.794 1.00 0.00 C ATOM 377 CG LEU A 28 9.654 -4.713 0.800 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.865 -5.445 -0.517 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.797 -3.744 1.063 1.00 0.00 C ATOM 0 H LEU A 28 7.210 -5.317 2.858 1.00 0.00 H new ATOM 0 HA LEU A 28 8.532 -2.688 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.554 -4.646 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.389 -3.134 0.104 1.00 0.00 H new ATOM 0 HG LEU A 28 9.637 -5.450 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.823 -5.965 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.063 -6.168 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.861 -4.727 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.742 -4.287 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.816 -2.984 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.653 -3.266 2.032 1.00 0.00 H new ATOM 391 N TYR A 29 6.442 -1.473 1.925 1.00 0.00 N ATOM 392 CA TYR A 29 5.194 -0.733 1.778 1.00 0.00 C ATOM 393 C TYR A 29 4.865 -0.506 0.306 1.00 0.00 C ATOM 394 O TYR A 29 5.681 0.022 -0.450 1.00 0.00 O ATOM 395 CB TYR A 29 5.284 0.609 2.505 1.00 0.00 C ATOM 396 CG TYR A 29 5.384 0.478 4.008 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.539 -0.007 4.608 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.323 0.841 4.829 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.635 -0.130 5.981 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.410 0.724 6.203 1.00 0.00 C ATOM 401 CZ TYR A 29 5.568 0.238 6.774 1.00 0.00 C ATOM 402 OH TYR A 29 5.659 0.119 8.142 1.00 0.00 O ATOM 0 H TYR A 29 7.277 -0.888 1.968 1.00 0.00 H new ATOM 0 HA TYR A 29 4.395 -1.326 2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.153 1.154 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.406 1.206 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.377 -0.293 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.415 1.221 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.540 -0.512 6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.576 1.011 6.826 1.00 0.00 H new ATOM 0 HH TYR A 29 4.822 0.422 8.553 1.00 0.00 H new ATOM 412 N TYR A 30 3.664 -0.908 -0.094 1.00 0.00 N ATOM 413 CA TYR A 30 3.225 -0.751 -1.476 1.00 0.00 C ATOM 414 C TYR A 30 2.052 0.220 -1.568 1.00 0.00 C ATOM 415 O TYR A 30 1.316 0.414 -0.601 1.00 0.00 O ATOM 416 CB TYR A 30 2.828 -2.105 -2.064 1.00 0.00 C ATOM 417 CG TYR A 30 3.982 -3.076 -2.181 1.00 0.00 C ATOM 418 CD1 TYR A 30 4.818 -3.061 -3.291 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.234 -4.010 -1.184 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.873 -3.946 -3.403 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.287 -4.898 -1.286 1.00 0.00 C ATOM 422 CZ TYR A 30 6.103 -4.862 -2.398 1.00 0.00 C ATOM 423 OH TYR A 30 7.152 -5.746 -2.504 1.00 0.00 O ATOM 0 H TYR A 30 2.976 -1.345 0.519 1.00 0.00 H new ATOM 0 HA TYR A 30 4.057 -0.343 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.052 -2.549 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.393 -1.950 -3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.640 -2.345 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.595 -4.042 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.514 -3.921 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.470 -5.616 -0.500 1.00 0.00 H new ATOM 0 HH TYR A 30 7.175 -6.322 -1.712 1.00 0.00 H new ATOM 433 N GLU A 31 1.885 0.827 -2.739 1.00 0.00 N ATOM 434 CA GLU A 31 0.802 1.778 -2.958 1.00 0.00 C ATOM 435 C GLU A 31 -0.545 1.063 -3.023 1.00 0.00 C ATOM 436 O GLU A 31 -0.892 0.460 -4.039 1.00 0.00 O ATOM 437 CB GLU A 31 1.037 2.564 -4.249 1.00 0.00 C ATOM 438 CG GLU A 31 0.086 3.735 -4.431 1.00 0.00 C ATOM 439 CD GLU A 31 0.567 4.720 -5.478 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.066 4.269 -6.531 1.00 0.00 O ATOM 441 OE2 GLU A 31 0.444 5.941 -5.247 1.00 0.00 O ATOM 0 H GLU A 31 2.485 0.677 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 31 0.786 2.471 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.062 2.935 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.935 1.889 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.897 3.359 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.034 4.252 -3.479 1.00 0.00 H new ATOM 448 N VAL A 32 -1.299 1.134 -1.931 1.00 0.00 N ATOM 449 CA VAL A 32 -2.608 0.494 -1.862 1.00 0.00 C ATOM 450 C VAL A 32 -3.707 1.518 -1.600 1.00 0.00 C ATOM 451 O VAL A 32 -3.447 2.601 -1.076 1.00 0.00 O ATOM 452 CB VAL A 32 -2.650 -0.582 -0.761 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.660 -1.696 -1.064 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.368 0.038 0.599 1.00 0.00 C ATOM 0 H VAL A 32 -1.026 1.628 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.780 0.020 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.650 -1.015 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.704 -2.447 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.913 -2.158 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.653 -1.283 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.402 -0.736 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.380 0.498 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.120 0.797 0.816 1.00 0.00 H new ATOM 464 N GLU A 33 -4.935 1.167 -1.967 1.00 0.00 N ATOM 465 CA GLU A 33 -6.074 2.057 -1.771 1.00 0.00 C ATOM 466 C GLU A 33 -6.932 1.592 -0.598 1.00 0.00 C ATOM 467 O GLU A 33 -7.021 0.396 -0.316 1.00 0.00 O ATOM 468 CB GLU A 33 -6.922 2.123 -3.043 1.00 0.00 C ATOM 469 CG GLU A 33 -8.334 2.633 -2.807 1.00 0.00 C ATOM 470 CD GLU A 33 -9.070 2.931 -4.098 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.576 3.767 -4.883 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.141 2.328 -4.324 1.00 0.00 O ATOM 0 H GLU A 33 -5.167 0.274 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.691 3.052 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.427 2.771 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.973 1.129 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.894 1.891 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.293 3.537 -2.200 1.00 0.00 H new ATOM 479 N ILE A 34 -7.560 2.545 0.082 1.00 0.00 N ATOM 480 CA ILE A 34 -8.411 2.234 1.224 1.00 0.00 C ATOM 481 C ILE A 34 -9.819 1.859 0.774 1.00 0.00 C ATOM 482 O ILE A 34 -10.454 2.589 0.011 1.00 0.00 O ATOM 483 CB ILE A 34 -8.495 3.419 2.203 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.102 3.775 2.728 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.433 3.090 3.354 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.528 2.738 3.668 1.00 0.00 C ATOM 0 H ILE A 34 -7.496 3.539 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.957 1.384 1.734 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.894 4.283 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.425 3.902 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.151 4.734 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.482 3.938 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.429 2.881 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.062 2.215 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.540 3.056 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.183 2.627 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.447 1.783 3.150 1.00 0.00 H new ATOM 498 N LEU A 35 -10.303 0.719 1.253 1.00 0.00 N ATOM 499 CA LEU A 35 -11.638 0.247 0.903 1.00 0.00 C ATOM 500 C LEU A 35 -12.583 0.349 2.096 1.00 0.00 C ATOM 501 O LEU A 35 -13.612 1.021 2.030 1.00 0.00 O ATOM 502 CB LEU A 35 -11.577 -1.199 0.409 1.00 0.00 C ATOM 503 CG LEU A 35 -10.455 -1.524 -0.579 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.356 -3.025 -0.799 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.683 -0.803 -1.899 1.00 0.00 C ATOM 0 H LEU A 35 -9.791 0.104 1.885 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.022 0.881 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.473 -1.853 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.530 -1.442 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.512 -1.177 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.553 -3.237 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.145 -3.519 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.299 -3.397 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.876 -1.045 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.634 -1.119 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.703 0.273 -1.727 1.00 0.00 H new ATOM 517 N SER A 36 -12.224 -0.320 3.187 1.00 0.00 N ATOM 518 CA SER A 36 -13.040 -0.306 4.395 1.00 0.00 C ATOM 519 C SER A 36 -12.164 -0.363 5.643 1.00 0.00 C ATOM 520 O SER A 36 -10.942 -0.487 5.553 1.00 0.00 O ATOM 521 CB SER A 36 -14.017 -1.484 4.390 1.00 0.00 C ATOM 522 OG SER A 36 -14.869 -1.435 3.259 1.00 0.00 O ATOM 0 H SER A 36 -11.373 -0.878 3.259 1.00 0.00 H new ATOM 0 HA SER A 36 -13.605 0.626 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.461 -2.422 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.615 -1.468 5.301 1.00 0.00 H new ATOM 0 HG SER A 36 -15.482 -2.199 3.278 1.00 0.00 H new ATOM 528 N HIS A 37 -12.798 -0.271 6.808 1.00 0.00 N ATOM 529 CA HIS A 37 -12.078 -0.312 8.076 1.00 0.00 C ATOM 530 C HIS A 37 -12.972 -0.845 9.192 1.00 0.00 C ATOM 531 O HIS A 37 -14.198 -0.798 9.093 1.00 0.00 O ATOM 532 CB HIS A 37 -11.563 1.081 8.439 1.00 0.00 C ATOM 533 CG HIS A 37 -11.404 1.295 9.913 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.439 0.661 10.666 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.094 2.080 10.773 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.543 1.045 11.926 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.540 1.906 12.017 1.00 0.00 N ATOM 0 H HIS A 37 -13.809 -0.168 6.900 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.229 -0.986 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.602 1.243 7.951 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.251 1.828 8.044 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.752 -0.001 10.306 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.926 2.723 10.526 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.919 0.712 12.742 1.00 0.00 H new ATOM 546 N ASP A 38 -12.350 -1.350 10.251 1.00 0.00 N ATOM 547 CA ASP A 38 -13.089 -1.891 11.386 1.00 0.00 C ATOM 548 C ASP A 38 -12.508 -1.385 12.703 1.00 0.00 C ATOM 549 O ASP A 38 -11.291 -1.326 12.874 1.00 0.00 O ATOM 550 CB ASP A 38 -13.063 -3.420 11.356 1.00 0.00 C ATOM 551 CG ASP A 38 -14.253 -4.032 12.069 1.00 0.00 C ATOM 552 OD1 ASP A 38 -15.322 -3.387 12.100 1.00 0.00 O ATOM 553 OD2 ASP A 38 -14.115 -5.156 12.596 1.00 0.00 O ATOM 0 H ASP A 38 -11.336 -1.396 10.348 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.122 -1.552 11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.049 -3.760 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.143 -3.774 11.821 1.00 0.00 H new ATOM 558 N SER A 39 -13.388 -1.021 13.631 1.00 0.00 N ATOM 559 CA SER A 39 -12.963 -0.516 14.931 1.00 0.00 C ATOM 560 C SER A 39 -12.815 -1.656 15.934 1.00 0.00 C ATOM 561 O SER A 39 -12.067 -1.550 16.907 1.00 0.00 O ATOM 562 CB SER A 39 -13.967 0.512 15.455 1.00 0.00 C ATOM 563 OG SER A 39 -15.128 -0.121 15.963 1.00 0.00 O ATOM 0 H SER A 39 -14.399 -1.067 13.506 1.00 0.00 H new ATOM 0 HA SER A 39 -11.993 -0.035 14.807 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.503 1.111 16.239 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.244 1.196 14.653 1.00 0.00 H new ATOM 0 HG SER A 39 -15.753 0.558 16.293 1.00 0.00 H new ATOM 569 N THR A 40 -13.534 -2.747 15.691 1.00 0.00 N ATOM 570 CA THR A 40 -13.485 -3.907 16.573 1.00 0.00 C ATOM 571 C THR A 40 -12.329 -4.830 16.204 1.00 0.00 C ATOM 572 O THR A 40 -11.737 -5.475 17.068 1.00 0.00 O ATOM 573 CB THR A 40 -14.801 -4.707 16.523 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.905 -3.852 16.839 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.761 -5.874 17.497 1.00 0.00 C ATOM 0 H THR A 40 -14.157 -2.852 14.891 1.00 0.00 H new ATOM 0 HA THR A 40 -13.336 -3.529 17.584 1.00 0.00 H new ATOM 0 HB THR A 40 -14.924 -5.101 15.514 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.738 -4.367 16.804 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.700 -6.424 17.444 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.937 -6.538 17.236 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.617 -5.498 18.510 1.00 0.00 H new ATOM 583 N SER A 41 -12.011 -4.886 14.914 1.00 0.00 N ATOM 584 CA SER A 41 -10.927 -5.733 14.430 1.00 0.00 C ATOM 585 C SER A 41 -9.653 -4.919 14.223 1.00 0.00 C ATOM 586 O SER A 41 -8.551 -5.466 14.204 1.00 0.00 O ATOM 587 CB SER A 41 -11.329 -6.414 13.121 1.00 0.00 C ATOM 588 OG SER A 41 -12.324 -7.398 13.342 1.00 0.00 O ATOM 0 H SER A 41 -12.489 -4.355 14.186 1.00 0.00 H new ATOM 0 HA SER A 41 -10.731 -6.497 15.183 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.701 -5.668 12.419 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.453 -6.874 12.663 1.00 0.00 H new ATOM 0 HG SER A 41 -13.210 -7.006 13.196 1.00 0.00 H new ATOM 594 N GLN A 42 -9.815 -3.608 14.068 1.00 0.00 N ATOM 595 CA GLN A 42 -8.678 -2.718 13.862 1.00 0.00 C ATOM 596 C GLN A 42 -7.898 -3.113 12.612 1.00 0.00 C ATOM 597 O GLN A 42 -6.674 -2.986 12.565 1.00 0.00 O ATOM 598 CB GLN A 42 -7.756 -2.743 15.082 1.00 0.00 C ATOM 599 CG GLN A 42 -8.478 -2.491 16.395 1.00 0.00 C ATOM 600 CD GLN A 42 -8.646 -1.014 16.694 1.00 0.00 C ATOM 601 OE1 GLN A 42 -8.035 -0.164 16.046 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.480 -0.700 17.679 1.00 0.00 N ATOM 0 H GLN A 42 -10.721 -3.140 14.081 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.060 -1.706 13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.258 -3.711 15.131 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.978 -1.990 14.955 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.459 -2.965 16.363 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.923 -2.961 17.207 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.966 -1.437 18.190 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.635 0.278 17.924 1.00 0.00 H new ATOM 611 N LEU A 43 -8.614 -3.591 11.600 1.00 0.00 N ATOM 612 CA LEU A 43 -7.989 -4.005 10.349 1.00 0.00 C ATOM 613 C LEU A 43 -8.562 -3.223 9.170 1.00 0.00 C ATOM 614 O LEU A 43 -9.772 -3.220 8.944 1.00 0.00 O ATOM 615 CB LEU A 43 -8.190 -5.505 10.127 1.00 0.00 C ATOM 616 CG LEU A 43 -7.339 -6.432 10.995 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.858 -7.859 10.920 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.879 -6.370 10.568 1.00 0.00 C ATOM 0 H LEU A 43 -9.628 -3.701 11.622 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.922 -3.795 10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.240 -5.740 10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.982 -5.728 9.080 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.409 -6.096 12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.240 -8.504 11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.888 -7.891 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.818 -8.207 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.288 -7.036 11.196 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.791 -6.680 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.512 -5.349 10.675 1.00 0.00 H new ATOM 630 N TYR A 44 -7.684 -2.565 8.422 1.00 0.00 N ATOM 631 CA TYR A 44 -8.102 -1.780 7.266 1.00 0.00 C ATOM 632 C TYR A 44 -8.022 -2.608 5.988 1.00 0.00 C ATOM 633 O TYR A 44 -6.979 -3.178 5.667 1.00 0.00 O ATOM 634 CB TYR A 44 -7.232 -0.528 7.132 1.00 0.00 C ATOM 635 CG TYR A 44 -7.609 0.576 8.094 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.564 0.374 9.468 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.010 1.822 7.628 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.907 1.380 10.350 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.354 2.835 8.503 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.302 2.609 9.863 1.00 0.00 C ATOM 641 OH TYR A 44 -8.645 3.614 10.737 1.00 0.00 O ATOM 0 H TYR A 44 -6.679 -2.559 8.595 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.139 -1.479 7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.189 -0.801 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.307 -0.151 6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.255 -0.587 9.853 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.054 2.002 6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.866 1.206 11.415 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.662 3.798 8.124 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.165 4.434 10.498 1.00 0.00 H new ATOM 651 N THR A 45 -9.132 -2.668 5.259 1.00 0.00 N ATOM 652 CA THR A 45 -9.190 -3.426 4.015 1.00 0.00 C ATOM 653 C THR A 45 -8.728 -2.580 2.834 1.00 0.00 C ATOM 654 O THR A 45 -9.469 -1.732 2.337 1.00 0.00 O ATOM 655 CB THR A 45 -10.615 -3.941 3.737 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.098 -4.679 4.864 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.639 -4.823 2.498 1.00 0.00 C ATOM 0 H THR A 45 -10.003 -2.200 5.509 1.00 0.00 H new ATOM 0 HA THR A 45 -8.520 -4.278 4.132 1.00 0.00 H new ATOM 0 HB THR A 45 -11.261 -3.081 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.005 -5.001 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.655 -5.175 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.299 -4.249 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.980 -5.678 2.647 1.00 0.00 H new ATOM 665 N VAL A 46 -7.498 -2.816 2.389 1.00 0.00 N ATOM 666 CA VAL A 46 -6.937 -2.076 1.264 1.00 0.00 C ATOM 667 C VAL A 46 -6.833 -2.957 0.025 1.00 0.00 C ATOM 668 O VAL A 46 -6.687 -4.176 0.126 1.00 0.00 O ATOM 669 CB VAL A 46 -5.543 -1.515 1.601 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.601 -0.656 2.855 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.539 -2.646 1.766 1.00 0.00 C ATOM 0 H VAL A 46 -6.871 -3.513 2.790 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.614 -1.247 1.060 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.215 -0.886 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.607 -0.269 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.287 0.176 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.951 -1.259 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.559 -2.231 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.861 -3.303 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.476 -3.215 0.839 1.00 0.00 H new ATOM 681 N LYS A 47 -6.907 -2.333 -1.146 1.00 0.00 N ATOM 682 CA LYS A 47 -6.819 -3.059 -2.408 1.00 0.00 C ATOM 683 C LYS A 47 -5.585 -2.632 -3.196 1.00 0.00 C ATOM 684 O LYS A 47 -5.295 -1.442 -3.316 1.00 0.00 O ATOM 685 CB LYS A 47 -8.079 -2.824 -3.244 1.00 0.00 C ATOM 686 CG LYS A 47 -7.990 -3.391 -4.650 1.00 0.00 C ATOM 687 CD LYS A 47 -9.356 -3.461 -5.311 1.00 0.00 C ATOM 688 CE LYS A 47 -10.042 -4.789 -5.033 1.00 0.00 C ATOM 689 NZ LYS A 47 -11.454 -4.794 -5.506 1.00 0.00 N ATOM 0 H LYS A 47 -7.028 -1.325 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.734 -4.122 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.932 -3.272 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.270 -1.753 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.325 -2.771 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.551 -4.388 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.980 -2.645 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.248 -3.324 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.492 -5.592 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.017 -4.994 -3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.887 -5.717 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.986 -4.045 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.477 -4.624 -6.532 1.00 0.00 H new ATOM 703 N TYR A 48 -4.864 -3.610 -3.732 1.00 0.00 N ATOM 704 CA TYR A 48 -3.661 -3.335 -4.509 1.00 0.00 C ATOM 705 C TYR A 48 -3.988 -3.209 -5.994 1.00 0.00 C ATOM 706 O TYR A 48 -5.108 -3.487 -6.421 1.00 0.00 O ATOM 707 CB TYR A 48 -2.627 -4.442 -4.295 1.00 0.00 C ATOM 708 CG TYR A 48 -2.110 -4.522 -2.877 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.929 -4.960 -1.842 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.805 -4.160 -2.570 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.462 -5.034 -0.544 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.329 -4.233 -1.275 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.161 -4.670 -0.266 1.00 0.00 C ATOM 714 OH TYR A 48 -0.691 -4.743 1.025 1.00 0.00 O ATOM 0 H TYR A 48 -5.091 -4.600 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.246 -2.387 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.072 -5.400 -4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.787 -4.279 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.948 -5.247 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.151 -3.815 -3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.112 -5.375 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.689 -3.949 -1.054 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.210 -5.587 1.151 1.00 0.00 H new ATOM 724 N LYS A 49 -3.000 -2.788 -6.776 1.00 0.00 N ATOM 725 CA LYS A 49 -3.179 -2.625 -8.214 1.00 0.00 C ATOM 726 C LYS A 49 -3.687 -3.916 -8.849 1.00 0.00 C ATOM 727 O LYS A 49 -4.767 -3.945 -9.439 1.00 0.00 O ATOM 728 CB LYS A 49 -1.860 -2.208 -8.869 1.00 0.00 C ATOM 729 CG LYS A 49 -1.313 -0.890 -8.348 1.00 0.00 C ATOM 730 CD LYS A 49 -0.395 -1.100 -7.155 1.00 0.00 C ATOM 731 CE LYS A 49 0.678 -0.024 -7.082 1.00 0.00 C ATOM 732 NZ LYS A 49 1.783 -0.405 -6.159 1.00 0.00 N ATOM 0 H LYS A 49 -2.067 -2.553 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.922 -1.844 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.119 -2.990 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.007 -2.130 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.767 -0.382 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.140 -0.239 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.982 -1.093 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.076 -2.081 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.082 0.154 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.231 0.912 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.494 0.354 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.402 -0.550 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.226 -1.285 -6.492 1.00 0.00 H new ATOM 746 N ASP A 50 -2.903 -4.981 -8.722 1.00 0.00 N ATOM 747 CA ASP A 50 -3.275 -6.275 -9.280 1.00 0.00 C ATOM 748 C ASP A 50 -4.742 -6.586 -9.002 1.00 0.00 C ATOM 749 O ASP A 50 -5.394 -7.295 -9.768 1.00 0.00 O ATOM 750 CB ASP A 50 -2.388 -7.379 -8.701 1.00 0.00 C ATOM 751 CG ASP A 50 -1.032 -7.446 -9.375 1.00 0.00 C ATOM 752 OD1 ASP A 50 -0.465 -6.374 -9.676 1.00 0.00 O ATOM 753 OD2 ASP A 50 -0.537 -8.569 -9.602 1.00 0.00 O ATOM 0 H ASP A 50 -2.006 -4.973 -8.237 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.130 -6.232 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.252 -7.209 -7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.892 -8.340 -8.809 1.00 0.00 H new ATOM 758 N GLY A 51 -5.256 -6.051 -7.898 1.00 0.00 N ATOM 759 CA GLY A 51 -6.642 -6.284 -7.537 1.00 0.00 C ATOM 760 C GLY A 51 -6.784 -7.222 -6.355 1.00 0.00 C ATOM 761 O GLY A 51 -7.729 -8.008 -6.286 1.00 0.00 O ATOM 0 H GLY A 51 -4.737 -5.461 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.117 -5.332 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.172 -6.701 -8.393 1.00 0.00 H new ATOM 765 N THR A 52 -5.842 -7.140 -5.421 1.00 0.00 N ATOM 766 CA THR A 52 -5.864 -7.990 -4.237 1.00 0.00 C ATOM 767 C THR A 52 -6.281 -7.201 -3.001 1.00 0.00 C ATOM 768 O THR A 52 -5.899 -6.043 -2.835 1.00 0.00 O ATOM 769 CB THR A 52 -4.487 -8.633 -3.981 1.00 0.00 C ATOM 770 OG1 THR A 52 -4.131 -9.482 -5.077 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.498 -9.439 -2.691 1.00 0.00 C ATOM 0 H THR A 52 -5.054 -6.493 -5.461 1.00 0.00 H new ATOM 0 HA THR A 52 -6.595 -8.776 -4.426 1.00 0.00 H new ATOM 0 HB THR A 52 -3.750 -7.835 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.254 -9.885 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.516 -9.883 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.740 -8.783 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.246 -10.229 -2.762 1.00 0.00 H new ATOM 779 N GLU A 53 -7.067 -7.836 -2.137 1.00 0.00 N ATOM 780 CA GLU A 53 -7.537 -7.191 -0.916 1.00 0.00 C ATOM 781 C GLU A 53 -6.962 -7.880 0.318 1.00 0.00 C ATOM 782 O GLU A 53 -7.056 -9.099 0.463 1.00 0.00 O ATOM 783 CB GLU A 53 -9.065 -7.210 -0.859 1.00 0.00 C ATOM 784 CG GLU A 53 -9.727 -6.509 -2.033 1.00 0.00 C ATOM 785 CD GLU A 53 -11.198 -6.853 -2.164 1.00 0.00 C ATOM 786 OE1 GLU A 53 -12.006 -6.318 -1.376 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.541 -7.658 -3.056 1.00 0.00 O ATOM 0 H GLU A 53 -7.391 -8.795 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.194 -6.156 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.406 -8.245 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.391 -6.737 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.619 -5.431 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.210 -6.783 -2.953 1.00 0.00 H new ATOM 794 N LEU A 54 -6.365 -7.091 1.205 1.00 0.00 N ATOM 795 CA LEU A 54 -5.774 -7.623 2.427 1.00 0.00 C ATOM 796 C LEU A 54 -6.186 -6.792 3.638 1.00 0.00 C ATOM 797 O LEU A 54 -6.822 -5.748 3.499 1.00 0.00 O ATOM 798 CB LEU A 54 -4.249 -7.651 2.309 1.00 0.00 C ATOM 799 CG LEU A 54 -3.681 -8.457 1.140 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.176 -8.261 1.038 1.00 0.00 C ATOM 801 CD2 LEU A 54 -4.020 -9.932 1.295 1.00 0.00 C ATOM 0 H LEU A 54 -6.278 -6.080 1.100 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.141 -8.640 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.892 -6.625 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.840 -8.055 3.235 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.137 -8.095 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.789 -8.842 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.957 -7.205 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.702 -8.595 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.608 -10.490 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.593 -10.308 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.103 -10.056 1.317 1.00 0.00 H new ATOM 813 N GLU A 55 -5.818 -7.263 4.826 1.00 0.00 N ATOM 814 CA GLU A 55 -6.149 -6.562 6.061 1.00 0.00 C ATOM 815 C GLU A 55 -4.886 -6.080 6.768 1.00 0.00 C ATOM 816 O GLU A 55 -4.061 -6.883 7.206 1.00 0.00 O ATOM 817 CB GLU A 55 -6.952 -7.474 6.991 1.00 0.00 C ATOM 818 CG GLU A 55 -8.453 -7.398 6.771 1.00 0.00 C ATOM 819 CD GLU A 55 -9.216 -8.415 7.597 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.386 -9.558 7.123 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.642 -8.068 8.719 1.00 0.00 O ATOM 0 H GLU A 55 -5.291 -8.126 4.959 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.755 -5.693 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.624 -8.504 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.731 -7.210 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.803 -6.396 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.670 -7.557 5.715 1.00 0.00 H new ATOM 828 N LEU A 56 -4.741 -4.764 6.877 1.00 0.00 N ATOM 829 CA LEU A 56 -3.578 -4.173 7.530 1.00 0.00 C ATOM 830 C LEU A 56 -4.004 -3.250 8.667 1.00 0.00 C ATOM 831 O LEU A 56 -4.792 -2.325 8.469 1.00 0.00 O ATOM 832 CB LEU A 56 -2.738 -3.397 6.515 1.00 0.00 C ATOM 833 CG LEU A 56 -2.464 -4.106 5.188 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.699 -3.193 4.243 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.695 -5.399 5.423 1.00 0.00 C ATOM 0 H LEU A 56 -5.415 -4.086 6.521 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.976 -4.980 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.241 -2.454 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.782 -3.151 6.977 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.420 -4.354 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.513 -3.715 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.286 -2.295 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.748 -2.914 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.509 -5.890 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.745 -5.174 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.280 -6.059 6.063 1.00 0.00 H new ATOM 847 N LYS A 57 -3.475 -3.506 9.859 1.00 0.00 N ATOM 848 CA LYS A 57 -3.796 -2.696 11.029 1.00 0.00 C ATOM 849 C LYS A 57 -3.572 -1.215 10.743 1.00 0.00 C ATOM 850 O LYS A 57 -2.856 -0.855 9.809 1.00 0.00 O ATOM 851 CB LYS A 57 -2.945 -3.130 12.224 1.00 0.00 C ATOM 852 CG LYS A 57 -3.571 -4.246 13.043 1.00 0.00 C ATOM 853 CD LYS A 57 -2.675 -4.659 14.199 1.00 0.00 C ATOM 854 CE LYS A 57 -1.712 -5.764 13.791 1.00 0.00 C ATOM 855 NZ LYS A 57 -0.907 -6.251 14.945 1.00 0.00 N ATOM 0 H LYS A 57 -2.822 -4.268 10.040 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.849 -2.847 11.267 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.969 -3.458 11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.774 -2.269 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.536 -3.918 13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.760 -5.107 12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.111 -3.795 14.550 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.289 -4.999 15.033 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.273 -6.595 13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.044 -5.395 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.263 -7.003 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.352 -5.464 15.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.542 -6.627 15.678 1.00 0.00 H new ATOM 869 N GLU A 58 -4.187 -0.360 11.555 1.00 0.00 N ATOM 870 CA GLU A 58 -4.053 1.082 11.388 1.00 0.00 C ATOM 871 C GLU A 58 -2.585 1.498 11.409 1.00 0.00 C ATOM 872 O GLU A 58 -2.204 2.496 10.799 1.00 0.00 O ATOM 873 CB GLU A 58 -4.819 1.818 12.490 1.00 0.00 C ATOM 874 CG GLU A 58 -5.295 3.202 12.080 1.00 0.00 C ATOM 875 CD GLU A 58 -5.731 4.043 13.263 1.00 0.00 C ATOM 876 OE1 GLU A 58 -4.855 4.649 13.915 1.00 0.00 O ATOM 877 OE2 GLU A 58 -6.948 4.096 13.537 1.00 0.00 O ATOM 0 H GLU A 58 -4.782 -0.641 12.334 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.475 1.351 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.681 1.219 12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.179 1.908 13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.493 3.716 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.127 3.104 11.382 1.00 0.00 H new ATOM 884 N ASN A 59 -1.767 0.725 12.116 1.00 0.00 N ATOM 885 CA ASN A 59 -0.341 1.014 12.217 1.00 0.00 C ATOM 886 C ASN A 59 0.399 0.546 10.968 1.00 0.00 C ATOM 887 O ASN A 59 1.262 1.251 10.445 1.00 0.00 O ATOM 888 CB ASN A 59 0.250 0.338 13.457 1.00 0.00 C ATOM 889 CG ASN A 59 1.660 0.808 13.754 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.610 0.026 13.707 1.00 0.00 O ATOM 891 ND2 ASN A 59 1.804 2.092 14.062 1.00 0.00 N ATOM 0 H ASN A 59 -2.067 -0.105 12.627 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.219 2.094 12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.387 0.542 14.317 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.253 -0.742 13.312 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.730 2.466 14.271 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.989 2.704 14.089 1.00 0.00 H new ATOM 898 N ASP A 60 0.053 -0.646 10.494 1.00 0.00 N ATOM 899 CA ASP A 60 0.683 -1.208 9.305 1.00 0.00 C ATOM 900 C ASP A 60 0.618 -0.225 8.140 1.00 0.00 C ATOM 901 O ASP A 60 1.500 -0.206 7.281 1.00 0.00 O ATOM 902 CB ASP A 60 0.007 -2.524 8.917 1.00 0.00 C ATOM 903 CG ASP A 60 0.333 -3.648 9.880 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.562 -3.359 11.073 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.360 -4.817 9.441 1.00 0.00 O ATOM 0 H ASP A 60 -0.660 -1.242 10.915 1.00 0.00 H new ATOM 0 HA ASP A 60 1.731 -1.401 9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.073 -2.379 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.321 -2.808 7.912 1.00 0.00 H new ATOM 910 N ILE A 61 -0.433 0.588 8.117 1.00 0.00 N ATOM 911 CA ILE A 61 -0.613 1.573 7.057 1.00 0.00 C ATOM 912 C ILE A 61 -0.008 2.917 7.448 1.00 0.00 C ATOM 913 O ILE A 61 -0.054 3.317 8.611 1.00 0.00 O ATOM 914 CB ILE A 61 -2.102 1.771 6.720 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.796 0.417 6.561 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.253 2.602 5.454 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.286 0.526 6.320 1.00 0.00 C ATOM 0 H ILE A 61 -1.172 0.584 8.820 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.098 1.188 6.177 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.577 2.307 7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.340 -0.120 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.624 -0.178 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.311 2.733 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.790 3.578 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.766 2.091 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.712 -0.472 6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.755 1.035 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.466 1.094 5.407 1.00 0.00 H new ATOM 929 N LYS A 62 0.558 3.612 6.467 1.00 0.00 N ATOM 930 CA LYS A 62 1.169 4.914 6.705 1.00 0.00 C ATOM 931 C LYS A 62 1.181 5.752 5.431 1.00 0.00 C ATOM 932 O LYS A 62 1.407 5.232 4.338 1.00 0.00 O ATOM 933 CB LYS A 62 2.597 4.742 7.228 1.00 0.00 C ATOM 934 CG LYS A 62 3.585 4.297 6.163 1.00 0.00 C ATOM 935 CD LYS A 62 5.021 4.488 6.620 1.00 0.00 C ATOM 936 CE LYS A 62 5.949 4.759 5.446 1.00 0.00 C ATOM 937 NZ LYS A 62 6.361 3.502 4.762 1.00 0.00 N ATOM 0 H LYS A 62 0.606 3.295 5.499 1.00 0.00 H new ATOM 0 HA LYS A 62 0.573 5.435 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.935 5.687 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.593 4.011 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.415 3.247 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.415 4.864 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.072 5.318 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.356 3.597 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.449 5.414 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.835 5.288 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.517 3.692 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.241 3.148 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.613 2.788 4.868 1.00 0.00 H new ATOM 951 N SER A 63 0.938 7.050 5.579 1.00 0.00 N ATOM 952 CA SER A 63 0.918 7.959 4.438 1.00 0.00 C ATOM 953 C SER A 63 1.925 9.090 4.628 1.00 0.00 C ATOM 954 O SER A 63 2.486 9.262 5.709 1.00 0.00 O ATOM 955 CB SER A 63 -0.485 8.537 4.244 1.00 0.00 C ATOM 956 OG SER A 63 -0.817 9.433 5.290 1.00 0.00 O ATOM 0 H SER A 63 0.752 7.496 6.477 1.00 0.00 H new ATOM 0 HA SER A 63 1.196 7.393 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.539 9.055 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.214 7.727 4.210 1.00 0.00 H new ATOM 0 HG SER A 63 -1.718 9.790 5.142 1.00 0.00 H new ATOM 962 N GLY A 64 2.148 9.859 3.566 1.00 0.00 N ATOM 963 CA GLY A 64 3.087 10.964 3.635 1.00 0.00 C ATOM 964 C GLY A 64 2.492 12.189 4.301 1.00 0.00 C ATOM 965 O GLY A 64 2.499 12.320 5.525 1.00 0.00 O ATOM 0 H GLY A 64 1.696 9.737 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.974 10.650 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.412 11.224 2.628 1.00 0.00 H new ATOM 969 N PRO A 65 1.965 13.114 3.485 1.00 0.00 N ATOM 970 CA PRO A 65 1.355 14.351 3.981 1.00 0.00 C ATOM 971 C PRO A 65 0.038 14.098 4.706 1.00 0.00 C ATOM 972 O PRO A 65 -0.857 13.439 4.177 1.00 0.00 O ATOM 973 CB PRO A 65 1.117 15.164 2.706 1.00 0.00 C ATOM 974 CG PRO A 65 1.005 14.147 1.624 1.00 0.00 C ATOM 975 CD PRO A 65 1.923 13.022 2.016 1.00 0.00 C ATOM 0 HA PRO A 65 1.988 14.854 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.209 15.763 2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.939 15.854 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.022 13.796 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.293 14.568 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.540 12.057 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.914 13.140 1.577 1.00 0.00 H new ATOM 983 N SER A 66 -0.074 14.627 5.921 1.00 0.00 N ATOM 984 CA SER A 66 -1.282 14.455 6.720 1.00 0.00 C ATOM 985 C SER A 66 -2.418 15.318 6.180 1.00 0.00 C ATOM 986 O SER A 66 -2.296 16.540 6.091 1.00 0.00 O ATOM 987 CB SER A 66 -1.006 14.812 8.182 1.00 0.00 C ATOM 988 OG SER A 66 -0.374 13.739 8.859 1.00 0.00 O ATOM 0 H SER A 66 0.656 15.177 6.373 1.00 0.00 H new ATOM 0 HA SER A 66 -1.583 13.409 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.374 15.699 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.942 15.060 8.682 1.00 0.00 H new ATOM 0 HG SER A 66 -0.207 13.993 9.791 1.00 0.00 H new ATOM 994 N SER A 67 -3.523 14.673 5.821 1.00 0.00 N ATOM 995 CA SER A 67 -4.681 15.380 5.286 1.00 0.00 C ATOM 996 C SER A 67 -5.171 16.441 6.266 1.00 0.00 C ATOM 997 O SER A 67 -5.390 17.593 5.894 1.00 0.00 O ATOM 998 CB SER A 67 -5.809 14.394 4.978 1.00 0.00 C ATOM 999 OG SER A 67 -6.950 15.066 4.473 1.00 0.00 O ATOM 0 H SER A 67 -3.641 13.662 5.891 1.00 0.00 H new ATOM 0 HA SER A 67 -4.379 15.875 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.465 13.658 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.076 13.847 5.883 1.00 0.00 H new ATOM 0 HG SER A 67 -7.656 14.414 4.283 1.00 0.00 H new ATOM 1005 N GLY A 68 -5.340 16.043 7.524 1.00 0.00 N ATOM 1006 CA GLY A 68 -5.803 16.970 8.539 1.00 0.00 C ATOM 1007 C GLY A 68 -7.298 16.878 8.771 1.00 0.00 C ATOM 1008 O GLY A 68 -7.807 17.359 9.783 1.00 0.00 O ATOM 0 H GLY A 68 -5.164 15.095 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.281 16.770 9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.547 17.987 8.242 1.00 0.00 H new TER 1012 GLY A 68