USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 515 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 1 MET CE :methyl -118:sc= -4.93! (180deg=-6.27!) USER MOD Set 1.2: A 55 MET CE :methyl 146:sc= -4.08! (180deg=-3.73!) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.27 (180deg=1.07) USER MOD Single : A 8 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.335 K(o=-0.34,f=-6.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -115:sc= 0.179 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-4.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -3.27! USER MOD Single : A 52 ASN : amide:sc= 0.204 K(o=0.2,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.163 0.013 -1.311 1.00 22.34 N ATOM 2 CA MET A 1 2.292 0.151 -2.224 1.00 32.12 C ATOM 3 C MET A 1 3.363 -0.894 -1.926 1.00 51.33 C ATOM 4 O MET A 1 3.795 -1.046 -0.783 1.00 64.01 O ATOM 5 CB MET A 1 2.890 1.555 -2.120 1.00 51.34 C ATOM 6 CG MET A 1 2.012 2.636 -2.731 1.00 64.11 C ATOM 7 SD MET A 1 2.964 4.041 -3.340 1.00 12.42 S ATOM 8 CE MET A 1 3.984 4.403 -1.913 1.00 24.11 C ATOM 0 H1 MET A 1 0.602 0.889 -1.318 1.00 22.34 H new ATOM 0 H2 MET A 1 0.566 -0.783 -1.615 1.00 22.34 H new ATOM 0 H3 MET A 1 1.515 -0.165 -0.349 1.00 22.34 H new ATOM 0 HA MET A 1 1.928 -0.007 -3.239 1.00 32.12 H new ATOM 0 HB2 MET A 1 3.064 1.790 -1.070 1.00 51.34 H new ATOM 0 HB3 MET A 1 3.861 1.565 -2.614 1.00 51.34 H new ATOM 0 HG2 MET A 1 1.435 2.210 -3.552 1.00 64.11 H new ATOM 0 HG3 MET A 1 1.297 2.983 -1.985 1.00 64.11 H new ATOM 0 HE1 MET A 1 3.761 5.407 -1.552 1.00 24.11 H new ATOM 0 HE2 MET A 1 3.777 3.679 -1.125 1.00 24.11 H new ATOM 0 HE3 MET A 1 5.036 4.344 -2.193 1.00 24.11 H new ATOM 18 N LEU A 2 3.787 -1.611 -2.961 1.00 34.10 N ATOM 19 CA LEU A 2 4.807 -2.642 -2.810 1.00 65.23 C ATOM 20 C LEU A 2 6.206 -2.046 -2.933 1.00 40.20 C ATOM 21 O LEU A 2 6.391 -0.989 -3.536 1.00 51.40 O ATOM 22 CB LEU A 2 4.614 -3.737 -3.861 1.00 34.12 C ATOM 23 CG LEU A 2 4.844 -5.172 -3.385 1.00 52.12 C ATOM 24 CD1 LEU A 2 3.968 -5.482 -2.181 1.00 61.32 C ATOM 25 CD2 LEU A 2 4.573 -6.157 -4.512 1.00 73.55 C ATOM 0 H LEU A 2 3.440 -1.497 -3.913 1.00 34.10 H new ATOM 0 HA LEU A 2 4.703 -3.078 -1.816 1.00 65.23 H new ATOM 0 HB2 LEU A 2 3.599 -3.663 -4.251 1.00 34.12 H new ATOM 0 HB3 LEU A 2 5.291 -3.538 -4.692 1.00 34.12 H new ATOM 0 HG LEU A 2 5.887 -5.272 -3.085 1.00 52.12 H new ATOM 0 HD11 LEU A 2 4.145 -6.507 -1.856 1.00 61.32 H new ATOM 0 HD12 LEU A 2 4.211 -4.797 -1.369 1.00 61.32 H new ATOM 0 HD13 LEU A 2 2.919 -5.364 -2.454 1.00 61.32 H new ATOM 0 HD21 LEU A 2 4.742 -7.173 -4.156 1.00 73.55 H new ATOM 0 HD22 LEU A 2 3.540 -6.055 -4.843 1.00 73.55 H new ATOM 0 HD23 LEU A 2 5.243 -5.949 -5.346 1.00 73.55 H new ATOM 37 N VAL A 3 7.189 -2.732 -2.359 1.00 30.22 N ATOM 38 CA VAL A 3 8.572 -2.272 -2.407 1.00 32.44 C ATOM 39 C VAL A 3 9.533 -3.441 -2.593 1.00 42.34 C ATOM 40 O VAL A 3 9.742 -4.238 -1.679 1.00 3.14 O ATOM 41 CB VAL A 3 8.954 -1.508 -1.125 1.00 55.53 C ATOM 42 CG1 VAL A 3 9.194 -0.037 -1.432 1.00 71.34 C ATOM 43 CG2 VAL A 3 7.873 -1.670 -0.067 1.00 3.14 C ATOM 0 H VAL A 3 7.053 -3.608 -1.855 1.00 30.22 H new ATOM 0 HA VAL A 3 8.653 -1.599 -3.260 1.00 32.44 H new ATOM 0 HB VAL A 3 9.880 -1.929 -0.734 1.00 55.53 H new ATOM 0 HG11 VAL A 3 9.463 0.487 -0.515 1.00 71.34 H new ATOM 0 HG12 VAL A 3 10.005 0.056 -2.154 1.00 71.34 H new ATOM 0 HG13 VAL A 3 8.286 0.401 -1.847 1.00 71.34 H new ATOM 0 HG21 VAL A 3 8.159 -1.124 0.832 1.00 3.14 H new ATOM 0 HG22 VAL A 3 6.930 -1.276 -0.447 1.00 3.14 H new ATOM 0 HG23 VAL A 3 7.754 -2.727 0.173 1.00 3.14 H new ATOM 53 N ILE A 4 10.116 -3.536 -3.784 1.00 11.42 N ATOM 54 CA ILE A 4 11.057 -4.606 -4.090 1.00 51.20 C ATOM 55 C ILE A 4 12.437 -4.305 -3.517 1.00 4.24 C ATOM 56 O ILE A 4 13.246 -3.619 -4.143 1.00 33.13 O ATOM 57 CB ILE A 4 11.182 -4.828 -5.609 1.00 34.31 C ATOM 58 CG1 ILE A 4 9.901 -5.458 -6.161 1.00 10.20 C ATOM 59 CG2 ILE A 4 12.386 -5.705 -5.919 1.00 35.34 C ATOM 60 CD1 ILE A 4 9.705 -6.897 -5.740 1.00 21.41 C ATOM 0 H ILE A 4 9.953 -2.885 -4.552 1.00 11.42 H new ATOM 0 HA ILE A 4 10.665 -5.513 -3.629 1.00 51.20 H new ATOM 0 HB ILE A 4 11.327 -3.862 -6.092 1.00 34.31 H new ATOM 0 HG12 ILE A 4 9.045 -4.871 -5.829 1.00 10.20 H new ATOM 0 HG13 ILE A 4 9.920 -5.406 -7.250 1.00 10.20 H new ATOM 0 HG21 ILE A 4 12.461 -5.853 -6.996 1.00 35.34 H new ATOM 0 HG22 ILE A 4 13.292 -5.221 -5.555 1.00 35.34 H new ATOM 0 HG23 ILE A 4 12.269 -6.671 -5.428 1.00 35.34 H new ATOM 0 HD11 ILE A 4 8.778 -7.278 -6.168 1.00 21.41 H new ATOM 0 HD12 ILE A 4 10.542 -7.497 -6.096 1.00 21.41 H new ATOM 0 HD13 ILE A 4 9.653 -6.954 -4.653 1.00 21.41 H new ATOM 72 N VAL A 5 12.702 -4.824 -2.322 1.00 10.12 N ATOM 73 CA VAL A 5 13.986 -4.614 -1.664 1.00 42.42 C ATOM 74 C VAL A 5 15.030 -5.603 -2.169 1.00 24.35 C ATOM 75 O VAL A 5 14.888 -6.814 -1.995 1.00 52.23 O ATOM 76 CB VAL A 5 13.863 -4.749 -0.135 1.00 34.31 C ATOM 77 CG1 VAL A 5 15.212 -4.527 0.532 1.00 73.43 C ATOM 78 CG2 VAL A 5 12.826 -3.775 0.404 1.00 73.31 C ATOM 0 H VAL A 5 12.044 -5.393 -1.790 1.00 10.12 H new ATOM 0 HA VAL A 5 14.303 -3.600 -1.906 1.00 42.42 H new ATOM 0 HB VAL A 5 13.533 -5.762 0.097 1.00 34.31 H new ATOM 0 HG11 VAL A 5 15.105 -4.626 1.612 1.00 73.43 H new ATOM 0 HG12 VAL A 5 15.924 -5.268 0.168 1.00 73.43 H new ATOM 0 HG13 VAL A 5 15.575 -3.527 0.294 1.00 73.43 H new ATOM 0 HG21 VAL A 5 12.752 -3.884 1.486 1.00 73.31 H new ATOM 0 HG22 VAL A 5 13.124 -2.755 0.162 1.00 73.31 H new ATOM 0 HG23 VAL A 5 11.858 -3.987 -0.049 1.00 73.31 H new ATOM 88 N ARG A 6 16.081 -5.080 -2.793 1.00 35.21 N ATOM 89 CA ARG A 6 17.149 -5.918 -3.323 1.00 43.14 C ATOM 90 C ARG A 6 18.279 -6.065 -2.309 1.00 22.25 C ATOM 91 O ARG A 6 18.954 -5.092 -1.969 1.00 61.31 O ATOM 92 CB ARG A 6 17.693 -5.325 -4.625 1.00 35.11 C ATOM 93 CG ARG A 6 17.519 -6.237 -5.828 1.00 50.05 C ATOM 94 CD ARG A 6 16.474 -5.696 -6.791 1.00 55.12 C ATOM 95 NE ARG A 6 15.922 -6.744 -7.646 1.00 1.20 N ATOM 96 CZ ARG A 6 16.581 -7.282 -8.666 1.00 74.32 C ATOM 97 NH1 ARG A 6 17.808 -6.874 -8.957 1.00 0.10 N ATOM 98 NH2 ARG A 6 16.012 -8.232 -9.398 1.00 15.22 N ATOM 0 H ARG A 6 16.215 -4.080 -2.944 1.00 35.21 H new ATOM 0 HA ARG A 6 16.735 -6.906 -3.526 1.00 43.14 H new ATOM 0 HB2 ARG A 6 17.190 -4.378 -4.821 1.00 35.11 H new ATOM 0 HB3 ARG A 6 18.753 -5.103 -4.498 1.00 35.11 H new ATOM 0 HG2 ARG A 6 18.472 -6.344 -6.346 1.00 50.05 H new ATOM 0 HG3 ARG A 6 17.226 -7.232 -5.492 1.00 50.05 H new ATOM 0 HD2 ARG A 6 15.668 -5.228 -6.226 1.00 55.12 H new ATOM 0 HD3 ARG A 6 16.921 -4.920 -7.412 1.00 55.12 H new ATOM 0 HE ARG A 6 14.980 -7.081 -7.449 1.00 1.20 H new ATOM 0 HH11 ARG A 6 18.249 -6.145 -8.397 1.00 0.10 H new ATOM 0 HH12 ARG A 6 18.311 -7.289 -9.741 1.00 0.10 H new ATOM 0 HH21 ARG A 6 15.068 -8.549 -9.177 1.00 15.22 H new ATOM 0 HH22 ARG A 6 16.519 -8.645 -10.181 1.00 15.22 H new ATOM 112 N LEU A 7 18.479 -7.287 -1.827 1.00 63.12 N ATOM 113 CA LEU A 7 19.527 -7.562 -0.850 1.00 62.43 C ATOM 114 C LEU A 7 20.880 -7.727 -1.535 1.00 63.10 C ATOM 115 O LEU A 7 20.952 -7.921 -2.748 1.00 65.21 O ATOM 116 CB LEU A 7 19.190 -8.823 -0.053 1.00 33.23 C ATOM 117 CG LEU A 7 20.111 -9.138 1.126 1.00 32.25 C ATOM 118 CD1 LEU A 7 20.185 -7.954 2.077 1.00 0.52 C ATOM 119 CD2 LEU A 7 19.632 -10.383 1.859 1.00 25.22 C ATOM 0 H LEU A 7 17.929 -8.103 -2.097 1.00 63.12 H new ATOM 0 HA LEU A 7 19.586 -6.713 -0.169 1.00 62.43 H new ATOM 0 HB2 LEU A 7 18.171 -8.730 0.323 1.00 33.23 H new ATOM 0 HB3 LEU A 7 19.202 -9.673 -0.735 1.00 33.23 H new ATOM 0 HG LEU A 7 21.112 -9.330 0.739 1.00 32.25 H new ATOM 0 HD11 LEU A 7 20.845 -8.197 2.910 1.00 0.52 H new ATOM 0 HD12 LEU A 7 20.575 -7.085 1.547 1.00 0.52 H new ATOM 0 HD13 LEU A 7 19.188 -7.730 2.457 1.00 0.52 H new ATOM 0 HD21 LEU A 7 20.299 -10.592 2.695 1.00 25.22 H new ATOM 0 HD22 LEU A 7 18.622 -10.219 2.233 1.00 25.22 H new ATOM 0 HD23 LEU A 7 19.632 -11.231 1.174 1.00 25.22 H new ATOM 131 N GLN A 8 21.949 -7.650 -0.749 1.00 31.25 N ATOM 132 CA GLN A 8 23.299 -7.792 -1.280 1.00 24.44 C ATOM 133 C GLN A 8 23.303 -8.663 -2.532 1.00 21.23 C ATOM 134 O GLN A 8 23.741 -8.232 -3.598 1.00 44.13 O ATOM 135 CB GLN A 8 24.225 -8.396 -0.222 1.00 2.43 C ATOM 136 CG GLN A 8 25.665 -7.921 -0.332 1.00 23.23 C ATOM 137 CD GLN A 8 26.521 -8.378 0.833 1.00 31.13 C ATOM 138 OE1 GLN A 8 26.097 -9.201 1.645 1.00 74.43 O ATOM 139 NE2 GLN A 8 27.734 -7.845 0.922 1.00 32.12 N ATOM 0 H GLN A 8 21.906 -7.490 0.257 1.00 31.25 H new ATOM 0 HA GLN A 8 23.663 -6.800 -1.548 1.00 24.44 H new ATOM 0 HB2 GLN A 8 23.843 -8.147 0.768 1.00 2.43 H new ATOM 0 HB3 GLN A 8 24.202 -9.482 -0.308 1.00 2.43 H new ATOM 0 HG2 GLN A 8 26.096 -8.292 -1.262 1.00 23.23 H new ATOM 0 HG3 GLN A 8 25.681 -6.832 -0.385 1.00 23.23 H new ATOM 0 HE21 GLN A 8 28.045 -7.166 0.227 1.00 32.12 H new ATOM 0 HE22 GLN A 8 28.355 -8.114 1.685 1.00 32.12 H new ATOM 148 N ASP A 9 22.813 -9.890 -2.394 1.00 73.13 N ATOM 149 CA ASP A 9 22.759 -10.822 -3.515 1.00 13.22 C ATOM 150 C ASP A 9 21.460 -11.622 -3.494 1.00 22.20 C ATOM 151 O ASP A 9 21.458 -12.825 -3.756 1.00 54.44 O ATOM 152 CB ASP A 9 23.958 -11.770 -3.475 1.00 72.52 C ATOM 153 CG ASP A 9 25.276 -11.033 -3.344 1.00 13.43 C ATOM 154 OD1 ASP A 9 25.581 -10.557 -2.230 1.00 1.11 O ATOM 155 OD2 ASP A 9 26.002 -10.932 -4.354 1.00 50.32 O ATOM 0 H ASP A 9 22.448 -10.263 -1.518 1.00 73.13 H new ATOM 0 HA ASP A 9 22.794 -10.244 -4.439 1.00 13.22 H new ATOM 0 HB2 ASP A 9 23.845 -12.458 -2.637 1.00 72.52 H new ATOM 0 HB3 ASP A 9 23.971 -12.373 -4.383 1.00 72.52 H new ATOM 160 N GLN A 10 20.360 -10.947 -3.179 1.00 53.22 N ATOM 161 CA GLN A 10 19.055 -11.596 -3.122 1.00 64.24 C ATOM 162 C GLN A 10 17.935 -10.591 -3.368 1.00 44.32 C ATOM 163 O GLN A 10 18.172 -9.384 -3.431 1.00 1.33 O ATOM 164 CB GLN A 10 18.859 -12.275 -1.766 1.00 31.03 C ATOM 165 CG GLN A 10 19.662 -13.556 -1.604 1.00 41.51 C ATOM 166 CD GLN A 10 19.373 -14.264 -0.296 1.00 20.44 C ATOM 167 OE1 GLN A 10 20.011 -13.997 0.723 1.00 64.12 O ATOM 168 NE2 GLN A 10 18.406 -15.175 -0.316 1.00 43.41 N ATOM 0 H GLN A 10 20.346 -9.951 -2.959 1.00 53.22 H new ATOM 0 HA GLN A 10 19.018 -12.351 -3.907 1.00 64.24 H new ATOM 0 HB2 GLN A 10 19.140 -11.578 -0.976 1.00 31.03 H new ATOM 0 HB3 GLN A 10 17.801 -12.500 -1.631 1.00 31.03 H new ATOM 0 HG2 GLN A 10 19.439 -14.227 -2.433 1.00 41.51 H new ATOM 0 HG3 GLN A 10 20.725 -13.323 -1.660 1.00 41.51 H new ATOM 0 HE21 GLN A 10 17.902 -15.365 -1.182 1.00 43.41 H new ATOM 0 HE22 GLN A 10 18.167 -15.684 0.535 1.00 43.41 H new ATOM 177 N THR A 11 16.713 -11.095 -3.508 1.00 24.54 N ATOM 178 CA THR A 11 15.557 -10.242 -3.748 1.00 72.11 C ATOM 179 C THR A 11 14.399 -10.613 -2.829 1.00 30.23 C ATOM 180 O THR A 11 14.103 -11.792 -2.631 1.00 73.44 O ATOM 181 CB THR A 11 15.085 -10.334 -5.212 1.00 22.44 C ATOM 182 OG1 THR A 11 16.205 -10.211 -6.096 1.00 13.32 O ATOM 183 CG2 THR A 11 14.066 -9.249 -5.521 1.00 53.41 C ATOM 0 H THR A 11 16.499 -12.091 -3.459 1.00 24.54 H new ATOM 0 HA THR A 11 15.870 -9.219 -3.538 1.00 72.11 H new ATOM 0 HB THR A 11 14.612 -11.305 -5.358 1.00 22.44 H new ATOM 0 HG1 THR A 11 15.897 -10.272 -7.024 1.00 13.32 H new ATOM 0 HG21 THR A 11 13.748 -9.334 -6.560 1.00 53.41 H new ATOM 0 HG22 THR A 11 13.202 -9.364 -4.866 1.00 53.41 H new ATOM 0 HG23 THR A 11 14.517 -8.270 -5.359 1.00 53.41 H new ATOM 191 N LEU A 12 13.747 -9.601 -2.269 1.00 15.44 N ATOM 192 CA LEU A 12 12.619 -9.821 -1.369 1.00 50.35 C ATOM 193 C LEU A 12 11.703 -8.601 -1.336 1.00 70.53 C ATOM 194 O LEU A 12 12.081 -7.523 -0.878 1.00 53.14 O ATOM 195 CB LEU A 12 13.120 -10.135 0.041 1.00 0.23 C ATOM 196 CG LEU A 12 12.401 -11.269 0.772 1.00 35.00 C ATOM 197 CD1 LEU A 12 10.896 -11.048 0.751 1.00 40.04 C ATOM 198 CD2 LEU A 12 12.753 -12.612 0.150 1.00 30.40 C ATOM 0 H LEU A 12 13.979 -8.620 -2.422 1.00 15.44 H new ATOM 0 HA LEU A 12 12.048 -10.671 -1.743 1.00 50.35 H new ATOM 0 HB2 LEU A 12 14.180 -10.382 -0.018 1.00 0.23 H new ATOM 0 HB3 LEU A 12 13.037 -9.231 0.644 1.00 0.23 H new ATOM 0 HG LEU A 12 12.733 -11.274 1.810 1.00 35.00 H new ATOM 0 HD11 LEU A 12 10.401 -11.865 1.276 1.00 40.04 H new ATOM 0 HD12 LEU A 12 10.660 -10.105 1.243 1.00 40.04 H new ATOM 0 HD13 LEU A 12 10.547 -11.016 -0.281 1.00 40.04 H new ATOM 0 HD21 LEU A 12 12.232 -13.408 0.683 1.00 30.40 H new ATOM 0 HD22 LEU A 12 12.451 -12.618 -0.897 1.00 30.40 H new ATOM 0 HD23 LEU A 12 13.829 -12.774 0.218 1.00 30.40 H new ATOM 210 N PRO A 13 10.468 -8.775 -1.831 1.00 44.01 N ATOM 211 CA PRO A 13 9.472 -7.701 -1.867 1.00 13.32 C ATOM 212 C PRO A 13 8.968 -7.330 -0.476 1.00 23.52 C ATOM 213 O PRO A 13 9.132 -8.092 0.478 1.00 73.25 O ATOM 214 CB PRO A 13 8.338 -8.297 -2.705 1.00 13.52 C ATOM 215 CG PRO A 13 8.477 -9.770 -2.537 1.00 33.21 C ATOM 216 CD PRO A 13 9.950 -10.034 -2.393 1.00 42.52 C ATOM 0 HA PRO A 13 9.883 -6.778 -2.276 1.00 13.32 H new ATOM 0 HB2 PRO A 13 7.365 -7.949 -2.359 1.00 13.52 H new ATOM 0 HB3 PRO A 13 8.426 -8.008 -3.752 1.00 13.52 H new ATOM 0 HG2 PRO A 13 7.931 -10.116 -1.659 1.00 33.21 H new ATOM 0 HG3 PRO A 13 8.068 -10.301 -3.396 1.00 33.21 H new ATOM 0 HD2 PRO A 13 10.144 -10.879 -1.732 1.00 42.52 H new ATOM 0 HD3 PRO A 13 10.412 -10.266 -3.352 1.00 42.52 H new ATOM 224 N PHE A 14 8.355 -6.157 -0.367 1.00 0.44 N ATOM 225 CA PHE A 14 7.828 -5.685 0.909 1.00 71.23 C ATOM 226 C PHE A 14 6.457 -5.040 0.726 1.00 45.44 C ATOM 227 O PHE A 14 6.186 -4.416 -0.300 1.00 62.41 O ATOM 228 CB PHE A 14 8.794 -4.685 1.546 1.00 45.32 C ATOM 229 CG PHE A 14 9.746 -5.311 2.525 1.00 42.34 C ATOM 230 CD1 PHE A 14 10.900 -5.939 2.084 1.00 2.52 C ATOM 231 CD2 PHE A 14 9.487 -5.271 3.885 1.00 3.22 C ATOM 232 CE1 PHE A 14 11.777 -6.516 2.983 1.00 62.01 C ATOM 233 CE2 PHE A 14 10.361 -5.846 4.789 1.00 71.23 C ATOM 234 CZ PHE A 14 11.508 -6.469 4.337 1.00 51.32 C ATOM 0 H PHE A 14 8.210 -5.515 -1.146 1.00 0.44 H new ATOM 0 HA PHE A 14 7.720 -6.545 1.569 1.00 71.23 H new ATOM 0 HB2 PHE A 14 9.366 -4.193 0.759 1.00 45.32 H new ATOM 0 HB3 PHE A 14 8.220 -3.911 2.054 1.00 45.32 H new ATOM 0 HD1 PHE A 14 11.116 -5.978 1.027 1.00 2.52 H new ATOM 0 HD2 PHE A 14 8.592 -4.785 4.244 1.00 3.22 H new ATOM 0 HE1 PHE A 14 12.672 -7.004 2.627 1.00 62.01 H new ATOM 0 HE2 PHE A 14 10.147 -5.808 5.847 1.00 71.23 H new ATOM 0 HZ PHE A 14 12.193 -6.918 5.041 1.00 51.32 H new ATOM 244 N GLU A 15 5.598 -5.195 1.728 1.00 40.22 N ATOM 245 CA GLU A 15 4.255 -4.628 1.677 1.00 64.35 C ATOM 246 C GLU A 15 4.183 -3.328 2.473 1.00 75.45 C ATOM 247 O GLU A 15 4.282 -3.332 3.700 1.00 25.32 O ATOM 248 CB GLU A 15 3.234 -5.630 2.220 1.00 41.20 C ATOM 249 CG GLU A 15 1.842 -5.046 2.393 1.00 71.31 C ATOM 250 CD GLU A 15 0.786 -6.112 2.615 1.00 41.23 C ATOM 251 OE1 GLU A 15 1.139 -7.201 3.113 1.00 22.30 O ATOM 252 OE2 GLU A 15 -0.392 -5.857 2.290 1.00 13.10 O ATOM 0 H GLU A 15 5.807 -5.708 2.584 1.00 40.22 H new ATOM 0 HA GLU A 15 4.019 -4.409 0.636 1.00 64.35 H new ATOM 0 HB2 GLU A 15 3.180 -6.483 1.544 1.00 41.20 H new ATOM 0 HB3 GLU A 15 3.583 -6.007 3.181 1.00 41.20 H new ATOM 0 HG2 GLU A 15 1.843 -4.359 3.239 1.00 71.31 H new ATOM 0 HG3 GLU A 15 1.584 -4.463 1.509 1.00 71.31 H new ATOM 259 N LEU A 16 4.008 -2.218 1.765 1.00 4.41 N ATOM 260 CA LEU A 16 3.923 -0.909 2.404 1.00 34.12 C ATOM 261 C LEU A 16 2.552 -0.280 2.176 1.00 73.51 C ATOM 262 O LEU A 16 1.808 -0.664 1.273 1.00 61.41 O ATOM 263 CB LEU A 16 5.016 0.016 1.867 1.00 61.33 C ATOM 264 CG LEU A 16 6.382 -0.096 2.544 1.00 24.11 C ATOM 265 CD1 LEU A 16 6.490 0.893 3.694 1.00 25.13 C ATOM 266 CD2 LEU A 16 6.619 -1.517 3.036 1.00 44.43 C ATOM 0 H LEU A 16 3.922 -2.198 0.749 1.00 4.41 H new ATOM 0 HA LEU A 16 4.067 -1.046 3.476 1.00 34.12 H new ATOM 0 HB2 LEU A 16 5.143 -0.184 0.803 1.00 61.33 H new ATOM 0 HB3 LEU A 16 4.670 1.046 1.959 1.00 61.33 H new ATOM 0 HG LEU A 16 7.151 0.146 1.810 1.00 24.11 H new ATOM 0 HD11 LEU A 16 7.469 0.799 4.164 1.00 25.13 H new ATOM 0 HD12 LEU A 16 6.366 1.907 3.315 1.00 25.13 H new ATOM 0 HD13 LEU A 16 5.713 0.683 4.429 1.00 25.13 H new ATOM 0 HD21 LEU A 16 7.596 -1.578 3.515 1.00 44.43 H new ATOM 0 HD22 LEU A 16 5.845 -1.787 3.754 1.00 44.43 H new ATOM 0 HD23 LEU A 16 6.586 -2.205 2.191 1.00 44.43 H new ATOM 278 N PRO A 17 2.208 0.711 3.012 1.00 63.23 N ATOM 279 CA PRO A 17 0.926 1.416 2.919 1.00 24.23 C ATOM 280 C PRO A 17 0.839 2.299 1.679 1.00 34.13 C ATOM 281 O PRO A 17 1.815 2.456 0.948 1.00 44.54 O ATOM 282 CB PRO A 17 0.900 2.272 4.188 1.00 20.42 C ATOM 283 CG PRO A 17 2.334 2.474 4.539 1.00 72.23 C ATOM 284 CD PRO A 17 3.045 1.220 4.111 1.00 4.10 C ATOM 0 HA PRO A 17 0.086 0.726 2.836 1.00 24.23 H new ATOM 0 HB2 PRO A 17 0.397 3.223 4.013 1.00 20.42 H new ATOM 0 HB3 PRO A 17 0.362 1.771 4.993 1.00 20.42 H new ATOM 0 HG2 PRO A 17 2.741 3.347 4.029 1.00 72.23 H new ATOM 0 HG3 PRO A 17 2.454 2.645 5.609 1.00 72.23 H new ATOM 0 HD2 PRO A 17 4.062 1.428 3.778 1.00 4.10 H new ATOM 0 HD3 PRO A 17 3.118 0.501 4.927 1.00 4.10 H new ATOM 292 N ALA A 18 -0.338 2.873 1.450 1.00 42.05 N ATOM 293 CA ALA A 18 -0.552 3.742 0.299 1.00 2.32 C ATOM 294 C ALA A 18 0.180 5.069 0.470 1.00 12.33 C ATOM 295 O ALA A 18 -0.013 5.772 1.461 1.00 3.33 O ATOM 296 CB ALA A 18 -2.040 3.981 0.088 1.00 45.12 C ATOM 0 H ALA A 18 -1.157 2.752 2.046 1.00 42.05 H new ATOM 0 HA ALA A 18 -0.147 3.244 -0.582 1.00 2.32 H new ATOM 0 HB1 ALA A 18 -2.185 4.631 -0.775 1.00 45.12 H new ATOM 0 HB2 ALA A 18 -2.540 3.029 -0.087 1.00 45.12 H new ATOM 0 HB3 ALA A 18 -2.462 4.454 0.975 1.00 45.12 H new ATOM 302 N GLY A 19 1.021 5.406 -0.503 1.00 23.22 N ATOM 303 CA GLY A 19 1.770 6.647 -0.440 1.00 12.52 C ATOM 304 C GLY A 19 2.999 6.539 0.440 1.00 44.20 C ATOM 305 O GLY A 19 3.647 7.542 0.739 1.00 13.04 O ATOM 0 H GLY A 19 1.197 4.841 -1.334 1.00 23.22 H new ATOM 0 HA2 GLY A 19 2.072 6.937 -1.446 1.00 12.52 H new ATOM 0 HA3 GLY A 19 1.124 7.439 -0.061 1.00 12.52 H new ATOM 309 N ALA A 20 3.321 5.319 0.857 1.00 44.04 N ATOM 310 CA ALA A 20 4.481 5.084 1.707 1.00 25.41 C ATOM 311 C ALA A 20 5.716 5.793 1.161 1.00 52.02 C ATOM 312 O ALA A 20 5.758 6.173 -0.010 1.00 20.54 O ATOM 313 CB ALA A 20 4.744 3.591 1.840 1.00 20.23 C ATOM 0 H ALA A 20 2.795 4.478 0.620 1.00 44.04 H new ATOM 0 HA ALA A 20 4.265 5.494 2.694 1.00 25.41 H new ATOM 0 HB1 ALA A 20 5.613 3.430 2.478 1.00 20.23 H new ATOM 0 HB2 ALA A 20 3.874 3.106 2.283 1.00 20.23 H new ATOM 0 HB3 ALA A 20 4.933 3.166 0.854 1.00 20.23 H new ATOM 319 N ARG A 21 6.718 5.969 2.016 1.00 40.55 N ATOM 320 CA ARG A 21 7.953 6.635 1.618 1.00 14.43 C ATOM 321 C ARG A 21 9.170 5.898 2.169 1.00 73.34 C ATOM 322 O ARG A 21 9.037 4.874 2.838 1.00 72.52 O ATOM 323 CB ARG A 21 7.956 8.084 2.109 1.00 3.41 C ATOM 324 CG ARG A 21 7.664 9.099 1.016 1.00 74.44 C ATOM 325 CD ARG A 21 6.569 10.068 1.434 1.00 44.44 C ATOM 326 NE ARG A 21 5.284 9.740 0.822 1.00 3.41 N ATOM 327 CZ ARG A 21 4.280 10.603 0.714 1.00 44.52 C ATOM 328 NH1 ARG A 21 4.412 11.840 1.173 1.00 5.21 N ATOM 329 NH2 ARG A 21 3.141 10.230 0.144 1.00 5.24 N ATOM 0 H ARG A 21 6.699 5.660 2.988 1.00 40.55 H new ATOM 0 HA ARG A 21 8.007 6.627 0.529 1.00 14.43 H new ATOM 0 HB2 ARG A 21 7.214 8.192 2.901 1.00 3.41 H new ATOM 0 HB3 ARG A 21 8.928 8.307 2.550 1.00 3.41 H new ATOM 0 HG2 ARG A 21 8.572 9.654 0.781 1.00 74.44 H new ATOM 0 HG3 ARG A 21 7.364 8.579 0.106 1.00 74.44 H new ATOM 0 HD2 ARG A 21 6.468 10.054 2.519 1.00 44.44 H new ATOM 0 HD3 ARG A 21 6.856 11.082 1.154 1.00 44.44 H new ATOM 0 HE ARG A 21 5.150 8.797 0.458 1.00 3.41 H new ATOM 0 HH11 ARG A 21 5.286 12.131 1.610 1.00 5.21 H new ATOM 0 HH12 ARG A 21 3.639 12.500 1.089 1.00 5.21 H new ATOM 0 HH21 ARG A 21 3.036 9.280 -0.212 1.00 5.24 H new ATOM 0 HH22 ARG A 21 2.371 10.894 0.062 1.00 5.24 H new ATOM 343 N ALA A 22 10.355 6.425 1.881 1.00 0.41 N ATOM 344 CA ALA A 22 11.595 5.818 2.348 1.00 1.21 C ATOM 345 C ALA A 22 11.562 5.592 3.856 1.00 40.41 C ATOM 346 O ALA A 22 11.871 4.502 4.337 1.00 43.32 O ATOM 347 CB ALA A 22 12.784 6.688 1.969 1.00 43.23 C ATOM 0 H ALA A 22 10.483 7.271 1.326 1.00 0.41 H new ATOM 0 HA ALA A 22 11.700 4.847 1.864 1.00 1.21 H new ATOM 0 HB1 ALA A 22 13.703 6.222 2.324 1.00 43.23 H new ATOM 0 HB2 ALA A 22 12.826 6.794 0.885 1.00 43.23 H new ATOM 0 HB3 ALA A 22 12.675 7.672 2.426 1.00 43.23 H new ATOM 353 N SER A 23 11.186 6.630 4.597 1.00 72.22 N ATOM 354 CA SER A 23 11.117 6.546 6.051 1.00 71.40 C ATOM 355 C SER A 23 10.308 5.328 6.487 1.00 73.21 C ATOM 356 O SER A 23 10.735 4.563 7.351 1.00 64.12 O ATOM 357 CB SER A 23 10.495 7.819 6.628 1.00 74.42 C ATOM 358 OG SER A 23 9.846 7.556 7.860 1.00 5.33 O ATOM 0 H SER A 23 10.925 7.539 4.214 1.00 72.22 H new ATOM 0 HA SER A 23 12.133 6.442 6.433 1.00 71.40 H new ATOM 0 HB2 SER A 23 11.270 8.572 6.775 1.00 74.42 H new ATOM 0 HB3 SER A 23 9.779 8.232 5.917 1.00 74.42 H new ATOM 0 HG SER A 23 9.458 8.386 8.209 1.00 5.33 H new ATOM 364 N GLN A 24 9.137 5.156 5.882 1.00 13.02 N ATOM 365 CA GLN A 24 8.267 4.032 6.208 1.00 11.10 C ATOM 366 C GLN A 24 9.002 2.707 6.036 1.00 22.02 C ATOM 367 O GLN A 24 9.099 1.913 6.973 1.00 60.44 O ATOM 368 CB GLN A 24 7.018 4.054 5.325 1.00 33.04 C ATOM 369 CG GLN A 24 5.727 3.817 6.092 1.00 13.53 C ATOM 370 CD GLN A 24 4.799 5.016 6.057 1.00 1.00 C ATOM 371 OE1 GLN A 24 3.624 4.896 5.711 1.00 75.23 O ATOM 372 NE2 GLN A 24 5.324 6.182 6.416 1.00 33.24 N ATOM 0 H GLN A 24 8.769 5.780 5.164 1.00 13.02 H new ATOM 0 HA GLN A 24 7.968 4.128 7.252 1.00 11.10 H new ATOM 0 HB2 GLN A 24 6.958 5.017 4.818 1.00 33.04 H new ATOM 0 HB3 GLN A 24 7.116 3.292 4.551 1.00 33.04 H new ATOM 0 HG2 GLN A 24 5.213 2.952 5.672 1.00 13.53 H new ATOM 0 HG3 GLN A 24 5.964 3.575 7.128 1.00 13.53 H new ATOM 0 HE21 GLN A 24 6.303 6.236 6.696 1.00 33.24 H new ATOM 0 HE22 GLN A 24 4.748 7.024 6.412 1.00 33.24 H new ATOM 381 N LEU A 25 9.519 2.474 4.835 1.00 55.34 N ATOM 382 CA LEU A 25 10.246 1.244 4.539 1.00 15.44 C ATOM 383 C LEU A 25 11.467 1.104 5.442 1.00 31.22 C ATOM 384 O LEU A 25 11.834 -0.002 5.839 1.00 32.21 O ATOM 385 CB LEU A 25 10.677 1.223 3.072 1.00 53.41 C ATOM 386 CG LEU A 25 11.243 -0.101 2.557 1.00 14.25 C ATOM 387 CD1 LEU A 25 10.322 -1.254 2.926 1.00 1.25 C ATOM 388 CD2 LEU A 25 11.450 -0.043 1.051 1.00 2.31 C ATOM 0 H LEU A 25 9.448 3.121 4.050 1.00 55.34 H new ATOM 0 HA LEU A 25 9.579 0.402 4.727 1.00 15.44 H new ATOM 0 HB2 LEU A 25 9.817 1.491 2.458 1.00 53.41 H new ATOM 0 HB3 LEU A 25 11.429 1.998 2.924 1.00 53.41 H new ATOM 0 HG LEU A 25 12.210 -0.269 3.030 1.00 14.25 H new ATOM 0 HD11 LEU A 25 10.741 -2.188 2.552 1.00 1.25 H new ATOM 0 HD12 LEU A 25 10.224 -1.309 4.010 1.00 1.25 H new ATOM 0 HD13 LEU A 25 9.340 -1.092 2.481 1.00 1.25 H new ATOM 0 HD21 LEU A 25 11.853 -0.994 0.702 1.00 2.31 H new ATOM 0 HD22 LEU A 25 10.496 0.149 0.560 1.00 2.31 H new ATOM 0 HD23 LEU A 25 12.149 0.758 0.810 1.00 2.31 H new ATOM 400 N SER A 26 12.091 2.232 5.765 1.00 43.15 N ATOM 401 CA SER A 26 13.272 2.235 6.620 1.00 64.34 C ATOM 402 C SER A 26 12.966 1.596 7.971 1.00 63.12 C ATOM 403 O SER A 26 13.629 0.646 8.385 1.00 71.43 O ATOM 404 CB SER A 26 13.779 3.664 6.821 1.00 13.25 C ATOM 405 OG SER A 26 14.955 3.900 6.068 1.00 65.42 O ATOM 0 H SER A 26 11.798 3.156 5.447 1.00 43.15 H new ATOM 0 HA SER A 26 14.048 1.648 6.128 1.00 64.34 H new ATOM 0 HB2 SER A 26 13.006 4.372 6.524 1.00 13.25 H new ATOM 0 HB3 SER A 26 13.980 3.836 7.878 1.00 13.25 H new ATOM 0 HG SER A 26 15.257 4.821 6.213 1.00 65.42 H new ATOM 411 N ASN A 27 11.957 2.126 8.654 1.00 52.02 N ATOM 412 CA ASN A 27 11.562 1.609 9.959 1.00 30.10 C ATOM 413 C ASN A 27 11.104 0.157 9.853 1.00 4.33 C ATOM 414 O ASN A 27 11.379 -0.658 10.735 1.00 5.30 O ATOM 415 CB ASN A 27 10.443 2.466 10.553 1.00 14.20 C ATOM 416 CG ASN A 27 10.948 3.799 11.070 1.00 13.41 C ATOM 417 OD1 ASN A 27 11.931 3.859 11.809 1.00 50.15 O ATOM 418 ND2 ASN A 27 10.275 4.877 10.684 1.00 40.15 N ATOM 0 H ASN A 27 11.398 2.913 8.325 1.00 52.02 H new ATOM 0 HA ASN A 27 12.430 1.651 10.616 1.00 30.10 H new ATOM 0 HB2 ASN A 27 9.680 2.639 9.794 1.00 14.20 H new ATOM 0 HB3 ASN A 27 9.965 1.921 11.367 1.00 14.20 H new ATOM 0 HD21 ASN A 27 10.567 5.801 11.001 1.00 40.15 H new ATOM 0 HD22 ASN A 27 9.466 4.781 10.071 1.00 40.15 H new ATOM 425 N LEU A 28 10.405 -0.159 8.769 1.00 64.30 N ATOM 426 CA LEU A 28 9.910 -1.513 8.547 1.00 73.24 C ATOM 427 C LEU A 28 11.051 -2.524 8.583 1.00 45.02 C ATOM 428 O LEU A 28 10.999 -3.510 9.319 1.00 31.02 O ATOM 429 CB LEU A 28 9.182 -1.597 7.204 1.00 51.23 C ATOM 430 CG LEU A 28 7.670 -1.817 7.272 1.00 23.42 C ATOM 431 CD1 LEU A 28 6.968 -1.049 6.164 1.00 51.32 C ATOM 432 CD2 LEU A 28 7.343 -3.301 7.185 1.00 64.13 C ATOM 0 H LEU A 28 10.168 0.503 8.030 1.00 64.30 H new ATOM 0 HA LEU A 28 9.211 -1.753 9.349 1.00 73.24 H new ATOM 0 HB2 LEU A 28 9.370 -0.675 6.653 1.00 51.23 H new ATOM 0 HB3 LEU A 28 9.621 -2.410 6.626 1.00 51.23 H new ATOM 0 HG LEU A 28 7.310 -1.441 8.230 1.00 23.42 H new ATOM 0 HD11 LEU A 28 5.893 -1.218 6.229 1.00 51.32 H new ATOM 0 HD12 LEU A 28 7.175 0.016 6.272 1.00 51.32 H new ATOM 0 HD13 LEU A 28 7.332 -1.393 5.196 1.00 51.32 H new ATOM 0 HD21 LEU A 28 6.263 -3.439 7.235 1.00 64.13 H new ATOM 0 HD22 LEU A 28 7.717 -3.701 6.243 1.00 64.13 H new ATOM 0 HD23 LEU A 28 7.815 -3.827 8.015 1.00 64.13 H new ATOM 444 N LEU A 29 12.083 -2.272 7.785 1.00 4.32 N ATOM 445 CA LEU A 29 13.240 -3.158 7.727 1.00 23.53 C ATOM 446 C LEU A 29 14.048 -3.085 9.019 1.00 42.40 C ATOM 447 O LEU A 29 14.486 -4.106 9.548 1.00 4.01 O ATOM 448 CB LEU A 29 14.128 -2.794 6.536 1.00 73.23 C ATOM 449 CG LEU A 29 13.694 -3.354 5.180 1.00 3.33 C ATOM 450 CD1 LEU A 29 13.573 -2.236 4.156 1.00 62.43 C ATOM 451 CD2 LEU A 29 14.676 -4.414 4.702 1.00 13.05 C ATOM 0 H LEU A 29 12.142 -1.461 7.169 1.00 4.32 H new ATOM 0 HA LEU A 29 12.878 -4.179 7.604 1.00 23.53 H new ATOM 0 HB2 LEU A 29 14.173 -1.708 6.460 1.00 73.23 H new ATOM 0 HB3 LEU A 29 15.140 -3.141 6.743 1.00 73.23 H new ATOM 0 HG LEU A 29 12.716 -3.820 5.296 1.00 3.33 H new ATOM 0 HD11 LEU A 29 13.263 -2.652 3.197 1.00 62.43 H new ATOM 0 HD12 LEU A 29 12.831 -1.512 4.494 1.00 62.43 H new ATOM 0 HD13 LEU A 29 14.537 -1.741 4.042 1.00 62.43 H new ATOM 0 HD21 LEU A 29 14.352 -4.801 3.736 1.00 13.05 H new ATOM 0 HD22 LEU A 29 15.668 -3.973 4.602 1.00 13.05 H new ATOM 0 HD23 LEU A 29 14.713 -5.228 5.426 1.00 13.05 H new ATOM 463 N SER A 30 14.240 -1.869 9.522 1.00 33.44 N ATOM 464 CA SER A 30 14.996 -1.662 10.752 1.00 42.23 C ATOM 465 C SER A 30 14.410 -2.484 11.896 1.00 50.43 C ATOM 466 O SER A 30 15.138 -2.975 12.758 1.00 12.34 O ATOM 467 CB SER A 30 15.004 -0.178 11.126 1.00 24.51 C ATOM 468 OG SER A 30 14.928 -0.007 12.531 1.00 51.43 O ATOM 0 H SER A 30 13.883 -1.013 9.097 1.00 33.44 H new ATOM 0 HA SER A 30 16.020 -1.992 10.580 1.00 42.23 H new ATOM 0 HB2 SER A 30 15.912 0.291 10.748 1.00 24.51 H new ATOM 0 HB3 SER A 30 14.163 0.325 10.649 1.00 24.51 H new ATOM 0 HG SER A 30 14.936 0.949 12.745 1.00 51.43 H new ATOM 474 N SER A 31 13.089 -2.628 11.895 1.00 33.43 N ATOM 475 CA SER A 31 12.403 -3.387 12.935 1.00 74.14 C ATOM 476 C SER A 31 13.011 -4.778 13.083 1.00 23.22 C ATOM 477 O SER A 31 12.993 -5.363 14.166 1.00 23.21 O ATOM 478 CB SER A 31 10.912 -3.502 12.611 1.00 33.34 C ATOM 479 OG SER A 31 10.256 -4.361 13.529 1.00 51.43 O ATOM 0 H SER A 31 12.472 -2.230 11.187 1.00 33.43 H new ATOM 0 HA SER A 31 12.523 -2.855 13.879 1.00 74.14 H new ATOM 0 HB2 SER A 31 10.453 -2.514 12.641 1.00 33.34 H new ATOM 0 HB3 SER A 31 10.785 -3.882 11.597 1.00 33.34 H new ATOM 0 HG SER A 31 9.304 -4.417 13.302 1.00 51.43 H new ATOM 485 N SER A 32 13.550 -5.302 11.987 1.00 51.24 N ATOM 486 CA SER A 32 14.161 -6.626 11.992 1.00 2.44 C ATOM 487 C SER A 32 15.533 -6.588 12.659 1.00 10.31 C ATOM 488 O SER A 32 15.916 -5.585 13.260 1.00 42.22 O ATOM 489 CB SER A 32 14.291 -7.157 10.564 1.00 75.23 C ATOM 490 OG SER A 32 14.577 -8.545 10.560 1.00 44.12 O ATOM 0 H SER A 32 13.576 -4.829 11.083 1.00 51.24 H new ATOM 0 HA SER A 32 13.516 -7.294 12.563 1.00 2.44 H new ATOM 0 HB2 SER A 32 13.366 -6.972 10.018 1.00 75.23 H new ATOM 0 HB3 SER A 32 15.082 -6.618 10.043 1.00 75.23 H new ATOM 0 HG SER A 32 15.467 -8.694 10.179 1.00 44.12 H new ATOM 496 N GLY A 33 16.269 -7.690 12.548 1.00 12.31 N ATOM 497 CA GLY A 33 17.590 -7.763 13.145 1.00 52.24 C ATOM 498 C GLY A 33 18.639 -7.044 12.319 1.00 20.55 C ATOM 499 O GLY A 33 19.459 -6.301 12.857 1.00 13.33 O ATOM 0 H GLY A 33 15.974 -8.533 12.055 1.00 12.31 H new ATOM 0 HA2 GLY A 33 17.558 -7.329 14.144 1.00 52.24 H new ATOM 0 HA3 GLY A 33 17.876 -8.808 13.260 1.00 52.24 H new ATOM 503 N MET A 34 18.615 -7.268 11.010 1.00 70.43 N ATOM 504 CA MET A 34 19.572 -6.637 10.109 1.00 4.31 C ATOM 505 C MET A 34 19.332 -5.132 10.029 1.00 64.53 C ATOM 506 O MET A 34 18.296 -4.636 10.469 1.00 5.55 O ATOM 507 CB MET A 34 19.477 -7.256 8.713 1.00 12.52 C ATOM 508 CG MET A 34 20.674 -8.117 8.347 1.00 23.43 C ATOM 509 SD MET A 34 20.254 -9.865 8.201 1.00 54.41 S ATOM 510 CE MET A 34 21.581 -10.445 7.148 1.00 71.33 C ATOM 0 H MET A 34 17.943 -7.882 10.549 1.00 70.43 H new ATOM 0 HA MET A 34 20.573 -6.807 10.505 1.00 4.31 H new ATOM 0 HB2 MET A 34 18.573 -7.862 8.654 1.00 12.52 H new ATOM 0 HB3 MET A 34 19.375 -6.458 7.977 1.00 12.52 H new ATOM 0 HG2 MET A 34 21.093 -7.768 7.403 1.00 23.43 H new ATOM 0 HG3 MET A 34 21.449 -7.996 9.104 1.00 23.43 H new ATOM 0 HE1 MET A 34 21.460 -11.513 6.966 1.00 71.33 H new ATOM 0 HE2 MET A 34 21.553 -9.909 6.199 1.00 71.33 H new ATOM 0 HE3 MET A 34 22.538 -10.266 7.637 1.00 71.33 H new ATOM 520 N ALA A 35 20.297 -4.413 9.464 1.00 75.34 N ATOM 521 CA ALA A 35 20.189 -2.966 9.324 1.00 34.43 C ATOM 522 C ALA A 35 21.253 -2.425 8.377 1.00 65.15 C ATOM 523 O ALA A 35 22.379 -2.144 8.787 1.00 4.44 O ATOM 524 CB ALA A 35 20.300 -2.295 10.685 1.00 23.43 C ATOM 0 H ALA A 35 21.162 -4.809 9.096 1.00 75.34 H new ATOM 0 HA ALA A 35 19.212 -2.739 8.897 1.00 34.43 H new ATOM 0 HB1 ALA A 35 20.218 -1.215 10.566 1.00 23.43 H new ATOM 0 HB2 ALA A 35 19.499 -2.651 11.332 1.00 23.43 H new ATOM 0 HB3 ALA A 35 21.263 -2.538 11.133 1.00 23.43 H new ATOM 530 N PHE A 36 20.891 -2.282 7.106 1.00 33.31 N ATOM 531 CA PHE A 36 21.816 -1.776 6.099 1.00 21.21 C ATOM 532 C PHE A 36 21.221 -0.576 5.368 1.00 62.32 C ATOM 533 O PHE A 36 20.074 -0.198 5.604 1.00 10.03 O ATOM 534 CB PHE A 36 22.164 -2.878 5.096 1.00 41.11 C ATOM 535 CG PHE A 36 21.052 -3.864 4.879 1.00 23.21 C ATOM 536 CD1 PHE A 36 20.009 -3.573 4.015 1.00 62.53 C ATOM 537 CD2 PHE A 36 21.050 -5.082 5.540 1.00 11.13 C ATOM 538 CE1 PHE A 36 18.985 -4.479 3.813 1.00 73.04 C ATOM 539 CE2 PHE A 36 20.028 -5.991 5.342 1.00 64.41 C ATOM 540 CZ PHE A 36 18.994 -5.689 4.478 1.00 71.20 C ATOM 0 H PHE A 36 19.963 -2.510 6.749 1.00 33.31 H new ATOM 0 HA PHE A 36 22.726 -1.455 6.606 1.00 21.21 H new ATOM 0 HB2 PHE A 36 22.425 -2.420 4.142 1.00 41.11 H new ATOM 0 HB3 PHE A 36 23.048 -3.411 5.446 1.00 41.11 H new ATOM 0 HD1 PHE A 36 19.996 -2.627 3.493 1.00 62.53 H new ATOM 0 HD2 PHE A 36 21.856 -5.324 6.217 1.00 11.13 H new ATOM 0 HE1 PHE A 36 18.178 -4.241 3.136 1.00 73.04 H new ATOM 0 HE2 PHE A 36 20.038 -6.937 5.863 1.00 64.41 H new ATOM 0 HZ PHE A 36 18.194 -6.398 4.323 1.00 71.20 H new ATOM 550 N SER A 37 22.010 0.018 4.479 1.00 44.13 N ATOM 551 CA SER A 37 21.564 1.178 3.715 1.00 25.24 C ATOM 552 C SER A 37 20.546 0.771 2.655 1.00 42.14 C ATOM 553 O SER A 37 20.603 -0.334 2.114 1.00 60.20 O ATOM 554 CB SER A 37 22.758 1.869 3.054 1.00 2.42 C ATOM 555 OG SER A 37 23.070 3.087 3.710 1.00 72.53 O ATOM 0 H SER A 37 22.961 -0.284 4.270 1.00 44.13 H new ATOM 0 HA SER A 37 21.086 1.875 4.404 1.00 25.24 H new ATOM 0 HB2 SER A 37 23.624 1.207 3.078 1.00 2.42 H new ATOM 0 HB3 SER A 37 22.534 2.064 2.005 1.00 2.42 H new ATOM 0 HG SER A 37 23.837 3.508 3.270 1.00 72.53 H new ATOM 561 N LEU A 38 19.615 1.672 2.361 1.00 1.14 N ATOM 562 CA LEU A 38 18.583 1.409 1.365 1.00 74.11 C ATOM 563 C LEU A 38 18.469 2.567 0.379 1.00 1.43 C ATOM 564 O LEU A 38 17.828 3.579 0.665 1.00 1.34 O ATOM 565 CB LEU A 38 17.235 1.172 2.049 1.00 51.14 C ATOM 566 CG LEU A 38 16.854 -0.288 2.293 1.00 74.41 C ATOM 567 CD1 LEU A 38 16.507 -0.512 3.757 1.00 53.23 C ATOM 568 CD2 LEU A 38 15.690 -0.693 1.399 1.00 0.54 C ATOM 0 H LEU A 38 19.554 2.591 2.799 1.00 1.14 H new ATOM 0 HA LEU A 38 18.866 0.513 0.813 1.00 74.11 H new ATOM 0 HB2 LEU A 38 17.241 1.690 3.008 1.00 51.14 H new ATOM 0 HB3 LEU A 38 16.456 1.633 1.442 1.00 51.14 H new ATOM 0 HG LEU A 38 17.712 -0.913 2.044 1.00 74.41 H new ATOM 0 HD11 LEU A 38 16.238 -1.557 3.911 1.00 53.23 H new ATOM 0 HD12 LEU A 38 17.368 -0.263 4.377 1.00 53.23 H new ATOM 0 HD13 LEU A 38 15.665 0.124 4.033 1.00 53.23 H new ATOM 0 HD21 LEU A 38 15.433 -1.735 1.587 1.00 0.54 H new ATOM 0 HD22 LEU A 38 14.828 -0.062 1.616 1.00 0.54 H new ATOM 0 HD23 LEU A 38 15.975 -0.572 0.354 1.00 0.54 H new ATOM 580 N HIS A 39 19.094 2.412 -0.784 1.00 31.33 N ATOM 581 CA HIS A 39 19.061 3.444 -1.814 1.00 34.04 C ATOM 582 C HIS A 39 18.512 2.887 -3.124 1.00 34.14 C ATOM 583 O HIS A 39 18.444 1.672 -3.315 1.00 14.15 O ATOM 584 CB HIS A 39 20.460 4.017 -2.036 1.00 45.15 C ATOM 585 CG HIS A 39 21.525 2.970 -2.153 1.00 72.21 C ATOM 586 ND1 HIS A 39 21.314 1.746 -2.753 1.00 44.45 N ATOM 587 CD2 HIS A 39 22.815 2.969 -1.744 1.00 10.34 C ATOM 588 CE1 HIS A 39 22.428 1.038 -2.707 1.00 24.04 C ATOM 589 NE2 HIS A 39 23.355 1.758 -2.099 1.00 75.41 N ATOM 0 H HIS A 39 19.629 1.581 -1.037 1.00 31.33 H new ATOM 0 HA HIS A 39 18.400 4.241 -1.474 1.00 34.04 H new ATOM 0 HB2 HIS A 39 20.456 4.622 -2.943 1.00 45.15 H new ATOM 0 HB3 HIS A 39 20.706 4.683 -1.209 1.00 45.15 H new ATOM 0 HD1 HIS A 39 20.435 1.436 -3.167 1.00 44.45 H new ATOM 0 HD2 HIS A 39 23.325 3.772 -1.233 1.00 10.34 H new ATOM 0 HE1 HIS A 39 22.559 0.040 -3.099 1.00 24.04 H new ATOM 597 N THR A 40 18.120 3.783 -4.024 1.00 72.13 N ATOM 598 CA THR A 40 17.575 3.381 -5.315 1.00 41.30 C ATOM 599 C THR A 40 18.331 4.044 -6.461 1.00 13.20 C ATOM 600 O THR A 40 18.717 5.209 -6.369 1.00 65.21 O ATOM 601 CB THR A 40 16.080 3.735 -5.428 1.00 61.14 C ATOM 602 OG1 THR A 40 15.928 5.048 -5.980 1.00 33.42 O ATOM 603 CG2 THR A 40 15.404 3.669 -4.067 1.00 52.34 C ATOM 0 H THR A 40 18.170 4.792 -3.883 1.00 72.13 H new ATOM 0 HA THR A 40 17.691 2.299 -5.385 1.00 41.30 H new ATOM 0 HB THR A 40 15.605 3.008 -6.087 1.00 61.14 H new ATOM 0 HG1 THR A 40 14.975 5.265 -6.050 1.00 33.42 H new ATOM 0 HG21 THR A 40 14.349 3.923 -4.172 1.00 52.34 H new ATOM 0 HG22 THR A 40 15.496 2.661 -3.663 1.00 52.34 H new ATOM 0 HG23 THR A 40 15.882 4.376 -3.389 1.00 52.34 H new ATOM 611 N GLN A 41 18.537 3.295 -7.539 1.00 52.24 N ATOM 612 CA GLN A 41 19.247 3.812 -8.703 1.00 73.25 C ATOM 613 C GLN A 41 20.596 4.399 -8.302 1.00 31.20 C ATOM 614 O GLN A 41 21.096 5.324 -8.940 1.00 2.11 O ATOM 615 CB GLN A 41 18.405 4.875 -9.410 1.00 55.42 C ATOM 616 CG GLN A 41 18.223 4.618 -10.898 1.00 1.45 C ATOM 617 CD GLN A 41 17.740 5.845 -11.647 1.00 24.40 C ATOM 618 OE1 GLN A 41 16.583 6.247 -11.523 1.00 23.24 O ATOM 619 NE2 GLN A 41 18.627 6.447 -12.431 1.00 60.51 N ATOM 0 H GLN A 41 18.223 2.329 -7.631 1.00 52.24 H new ATOM 0 HA GLN A 41 19.422 2.982 -9.388 1.00 73.25 H new ATOM 0 HB2 GLN A 41 17.425 4.924 -8.936 1.00 55.42 H new ATOM 0 HB3 GLN A 41 18.875 5.849 -9.273 1.00 55.42 H new ATOM 0 HG2 GLN A 41 19.170 4.286 -11.324 1.00 1.45 H new ATOM 0 HG3 GLN A 41 17.509 3.807 -11.038 1.00 1.45 H new ATOM 0 HE21 GLN A 41 19.576 6.079 -12.504 1.00 60.51 H new ATOM 0 HE22 GLN A 41 18.360 7.277 -12.960 1.00 60.51 H new ATOM 628 N GLY A 42 21.180 3.854 -7.239 1.00 62.00 N ATOM 629 CA GLY A 42 22.466 4.337 -6.770 1.00 60.14 C ATOM 630 C GLY A 42 22.373 5.709 -6.133 1.00 52.11 C ATOM 631 O GLY A 42 23.332 6.481 -6.162 1.00 34.31 O ATOM 0 H GLY A 42 20.786 3.087 -6.694 1.00 62.00 H new ATOM 0 HA2 GLY A 42 22.874 3.631 -6.047 1.00 60.14 H new ATOM 0 HA3 GLY A 42 23.164 4.375 -7.607 1.00 60.14 H new ATOM 635 N ARG A 43 21.215 6.015 -5.558 1.00 34.05 N ATOM 636 CA ARG A 43 20.999 7.305 -4.913 1.00 71.21 C ATOM 637 C ARG A 43 20.307 7.130 -3.564 1.00 60.24 C ATOM 638 O ARG A 43 19.270 6.473 -3.467 1.00 42.11 O ATOM 639 CB ARG A 43 20.162 8.215 -5.813 1.00 54.05 C ATOM 640 CG ARG A 43 20.874 8.632 -7.090 1.00 23.14 C ATOM 641 CD ARG A 43 19.969 9.459 -7.989 1.00 33.22 C ATOM 642 NE ARG A 43 20.615 9.798 -9.253 1.00 44.54 N ATOM 643 CZ ARG A 43 21.504 10.777 -9.385 1.00 0.12 C ATOM 644 NH1 ARG A 43 21.850 11.508 -8.334 1.00 51.44 N ATOM 645 NH2 ARG A 43 22.049 11.025 -10.569 1.00 10.51 N ATOM 0 H ARG A 43 20.412 5.387 -5.525 1.00 34.05 H new ATOM 0 HA ARG A 43 21.972 7.766 -4.745 1.00 71.21 H new ATOM 0 HB2 ARG A 43 19.237 7.702 -6.074 1.00 54.05 H new ATOM 0 HB3 ARG A 43 19.884 9.108 -5.254 1.00 54.05 H new ATOM 0 HG2 ARG A 43 21.765 9.208 -6.839 1.00 23.14 H new ATOM 0 HG3 ARG A 43 21.209 7.745 -7.627 1.00 23.14 H new ATOM 0 HD2 ARG A 43 19.052 8.905 -8.188 1.00 33.22 H new ATOM 0 HD3 ARG A 43 19.683 10.374 -7.471 1.00 33.22 H new ATOM 0 HE ARG A 43 20.371 9.254 -10.080 1.00 44.54 H new ATOM 0 HH11 ARG A 43 21.434 11.319 -7.422 1.00 51.44 H new ATOM 0 HH12 ARG A 43 22.533 12.259 -8.437 1.00 51.44 H new ATOM 0 HH21 ARG A 43 21.786 10.464 -11.379 1.00 10.51 H new ATOM 0 HH22 ARG A 43 22.731 11.777 -10.669 1.00 10.51 H new ATOM 659 N VAL A 44 20.888 7.721 -2.526 1.00 4.44 N ATOM 660 CA VAL A 44 20.328 7.632 -1.183 1.00 20.45 C ATOM 661 C VAL A 44 18.861 8.046 -1.170 1.00 40.13 C ATOM 662 O VAL A 44 18.443 8.913 -1.939 1.00 71.12 O ATOM 663 CB VAL A 44 21.108 8.513 -0.189 1.00 54.40 C ATOM 664 CG1 VAL A 44 20.575 8.326 1.223 1.00 13.33 C ATOM 665 CG2 VAL A 44 22.595 8.200 -0.252 1.00 72.24 C ATOM 0 H VAL A 44 21.747 8.267 -2.589 1.00 4.44 H new ATOM 0 HA VAL A 44 20.411 6.590 -0.875 1.00 20.45 H new ATOM 0 HB VAL A 44 20.968 9.557 -0.469 1.00 54.40 H new ATOM 0 HG11 VAL A 44 21.138 8.956 1.911 1.00 13.33 H new ATOM 0 HG12 VAL A 44 19.522 8.605 1.254 1.00 13.33 H new ATOM 0 HG13 VAL A 44 20.682 7.282 1.517 1.00 13.33 H new ATOM 0 HG21 VAL A 44 23.130 8.832 0.457 1.00 72.24 H new ATOM 0 HG22 VAL A 44 22.757 7.152 0.001 1.00 72.24 H new ATOM 0 HG23 VAL A 44 22.965 8.391 -1.259 1.00 72.24 H new ATOM 675 N LEU A 45 18.083 7.422 -0.293 1.00 1.34 N ATOM 676 CA LEU A 45 16.661 7.727 -0.179 1.00 31.51 C ATOM 677 C LEU A 45 16.401 8.696 0.970 1.00 25.40 C ATOM 678 O LEU A 45 16.809 8.451 2.106 1.00 74.14 O ATOM 679 CB LEU A 45 15.860 6.441 0.032 1.00 35.25 C ATOM 680 CG LEU A 45 15.144 5.886 -1.200 1.00 21.44 C ATOM 681 CD1 LEU A 45 14.057 4.904 -0.789 1.00 4.21 C ATOM 682 CD2 LEU A 45 14.557 7.017 -2.031 1.00 1.24 C ATOM 0 H LEU A 45 18.413 6.702 0.350 1.00 1.34 H new ATOM 0 HA LEU A 45 16.341 8.200 -1.107 1.00 31.51 H new ATOM 0 HB2 LEU A 45 16.535 5.674 0.411 1.00 35.25 H new ATOM 0 HB3 LEU A 45 15.117 6.623 0.808 1.00 35.25 H new ATOM 0 HG LEU A 45 15.873 5.354 -1.811 1.00 21.44 H new ATOM 0 HD11 LEU A 45 13.559 4.520 -1.679 1.00 4.21 H new ATOM 0 HD12 LEU A 45 14.504 4.077 -0.237 1.00 4.21 H new ATOM 0 HD13 LEU A 45 13.329 5.411 -0.156 1.00 4.21 H new ATOM 0 HD21 LEU A 45 14.051 6.603 -2.903 1.00 1.24 H new ATOM 0 HD22 LEU A 45 13.842 7.577 -1.429 1.00 1.24 H new ATOM 0 HD23 LEU A 45 15.357 7.682 -2.357 1.00 1.24 H new ATOM 694 N SER A 46 15.720 9.796 0.667 1.00 35.41 N ATOM 695 CA SER A 46 15.407 10.803 1.674 1.00 33.32 C ATOM 696 C SER A 46 14.241 10.352 2.549 1.00 54.41 C ATOM 697 O SER A 46 13.388 9.579 2.114 1.00 20.03 O ATOM 698 CB SER A 46 15.071 12.137 1.005 1.00 64.12 C ATOM 699 OG SER A 46 13.867 12.047 0.263 1.00 23.11 O ATOM 0 H SER A 46 15.374 10.013 -0.268 1.00 35.41 H new ATOM 0 HA SER A 46 16.285 10.933 2.307 1.00 33.32 H new ATOM 0 HB2 SER A 46 14.977 12.914 1.763 1.00 64.12 H new ATOM 0 HB3 SER A 46 15.887 12.432 0.345 1.00 64.12 H new ATOM 0 HG SER A 46 13.674 12.913 -0.153 1.00 23.11 H new ATOM 705 N GLU A 47 14.212 10.843 3.784 1.00 33.12 N ATOM 706 CA GLU A 47 13.151 10.490 4.721 1.00 40.33 C ATOM 707 C GLU A 47 11.779 10.814 4.136 1.00 62.32 C ATOM 708 O GLU A 47 10.773 10.217 4.518 1.00 23.41 O ATOM 709 CB GLU A 47 13.341 11.234 6.045 1.00 63.44 C ATOM 710 CG GLU A 47 14.734 11.082 6.633 1.00 31.01 C ATOM 711 CD GLU A 47 14.810 11.537 8.077 1.00 14.25 C ATOM 712 OE1 GLU A 47 13.743 11.691 8.708 1.00 1.13 O ATOM 713 OE2 GLU A 47 15.936 11.739 8.577 1.00 44.21 O ATOM 0 H GLU A 47 14.910 11.486 4.159 1.00 33.12 H new ATOM 0 HA GLU A 47 13.205 9.417 4.904 1.00 40.33 H new ATOM 0 HB2 GLU A 47 13.135 12.293 5.890 1.00 63.44 H new ATOM 0 HB3 GLU A 47 12.609 10.869 6.766 1.00 63.44 H new ATOM 0 HG2 GLU A 47 15.040 10.038 6.568 1.00 31.01 H new ATOM 0 HG3 GLU A 47 15.441 11.659 6.037 1.00 31.01 H new ATOM 720 N ALA A 48 11.747 11.764 3.207 1.00 65.41 N ATOM 721 CA ALA A 48 10.501 12.166 2.568 1.00 73.11 C ATOM 722 C ALA A 48 10.466 11.728 1.108 1.00 73.42 C ATOM 723 O ALA A 48 9.581 12.126 0.351 1.00 35.14 O ATOM 724 CB ALA A 48 10.316 13.672 2.673 1.00 12.43 C ATOM 0 H ALA A 48 12.571 12.269 2.880 1.00 65.41 H new ATOM 0 HA ALA A 48 9.680 11.673 3.088 1.00 73.11 H new ATOM 0 HB1 ALA A 48 9.381 13.958 2.191 1.00 12.43 H new ATOM 0 HB2 ALA A 48 10.287 13.963 3.723 1.00 12.43 H new ATOM 0 HB3 ALA A 48 11.147 14.176 2.180 1.00 12.43 H new ATOM 730 N ALA A 49 11.435 10.906 0.718 1.00 32.11 N ATOM 731 CA ALA A 49 11.514 10.413 -0.651 1.00 73.23 C ATOM 732 C ALA A 49 10.307 9.546 -0.993 1.00 35.10 C ATOM 733 O ALA A 49 10.104 8.488 -0.399 1.00 74.41 O ATOM 734 CB ALA A 49 12.803 9.631 -0.857 1.00 74.13 C ATOM 0 H ALA A 49 12.176 10.568 1.331 1.00 32.11 H new ATOM 0 HA ALA A 49 11.512 11.273 -1.321 1.00 73.23 H new ATOM 0 HB1 ALA A 49 12.849 9.269 -1.884 1.00 74.13 H new ATOM 0 HB2 ALA A 49 13.657 10.280 -0.663 1.00 74.13 H new ATOM 0 HB3 ALA A 49 12.828 8.784 -0.172 1.00 74.13 H new ATOM 740 N GLU A 50 9.508 10.003 -1.953 1.00 23.21 N ATOM 741 CA GLU A 50 8.320 9.268 -2.371 1.00 42.35 C ATOM 742 C GLU A 50 8.428 8.846 -3.834 1.00 4.40 C ATOM 743 O GLU A 50 8.474 9.687 -4.733 1.00 2.31 O ATOM 744 CB GLU A 50 7.067 10.122 -2.167 1.00 41.30 C ATOM 745 CG GLU A 50 6.026 9.947 -3.260 1.00 31.34 C ATOM 746 CD GLU A 50 4.668 10.494 -2.865 1.00 0.21 C ATOM 747 OE1 GLU A 50 4.545 11.728 -2.720 1.00 14.24 O ATOM 748 OE2 GLU A 50 3.729 9.688 -2.702 1.00 34.44 O ATOM 0 H GLU A 50 9.662 10.878 -2.455 1.00 23.21 H new ATOM 0 HA GLU A 50 8.244 8.371 -1.756 1.00 42.35 H new ATOM 0 HB2 GLU A 50 6.618 9.870 -1.206 1.00 41.30 H new ATOM 0 HB3 GLU A 50 7.357 11.172 -2.118 1.00 41.30 H new ATOM 0 HG2 GLU A 50 6.367 10.450 -4.165 1.00 31.34 H new ATOM 0 HG3 GLU A 50 5.931 8.888 -3.500 1.00 31.34 H new ATOM 755 N LEU A 51 8.469 7.539 -4.065 1.00 25.23 N ATOM 756 CA LEU A 51 8.573 7.004 -5.418 1.00 31.42 C ATOM 757 C LEU A 51 7.190 6.755 -6.012 1.00 64.31 C ATOM 758 O LEU A 51 6.618 7.627 -6.664 1.00 63.24 O ATOM 759 CB LEU A 51 9.380 5.704 -5.413 1.00 40.11 C ATOM 760 CG LEU A 51 10.877 5.845 -5.137 1.00 4.00 C ATOM 761 CD1 LEU A 51 11.127 6.082 -3.656 1.00 21.54 C ATOM 762 CD2 LEU A 51 11.626 4.610 -5.615 1.00 64.25 C ATOM 0 H LEU A 51 8.432 6.830 -3.333 1.00 25.23 H new ATOM 0 HA LEU A 51 9.087 7.741 -6.036 1.00 31.42 H new ATOM 0 HB2 LEU A 51 8.954 5.038 -4.663 1.00 40.11 H new ATOM 0 HB3 LEU A 51 9.253 5.217 -6.380 1.00 40.11 H new ATOM 0 HG LEU A 51 11.249 6.708 -5.690 1.00 4.00 H new ATOM 0 HD11 LEU A 51 12.198 6.180 -3.479 1.00 21.54 H new ATOM 0 HD12 LEU A 51 10.623 6.996 -3.344 1.00 21.54 H new ATOM 0 HD13 LEU A 51 10.740 5.240 -3.082 1.00 21.54 H new ATOM 0 HD21 LEU A 51 12.690 4.728 -5.410 1.00 64.25 H new ATOM 0 HD22 LEU A 51 11.251 3.731 -5.090 1.00 64.25 H new ATOM 0 HD23 LEU A 51 11.474 4.485 -6.687 1.00 64.25 H new ATOM 774 N ASN A 52 6.659 5.559 -5.780 1.00 34.11 N ATOM 775 CA ASN A 52 5.342 5.196 -6.291 1.00 71.30 C ATOM 776 C ASN A 52 4.993 3.757 -5.922 1.00 61.13 C ATOM 777 O ASN A 52 5.775 3.066 -5.269 1.00 60.32 O ATOM 778 CB ASN A 52 5.296 5.370 -7.810 1.00 53.23 C ATOM 779 CG ASN A 52 4.037 6.079 -8.273 1.00 4.11 C ATOM 780 OD1 ASN A 52 2.943 5.814 -7.775 1.00 22.41 O ATOM 781 ND2 ASN A 52 4.188 6.987 -9.231 1.00 31.44 N ATOM 0 H ASN A 52 7.120 4.825 -5.242 1.00 34.11 H new ATOM 0 HA ASN A 52 4.607 5.858 -5.834 1.00 71.30 H new ATOM 0 HB2 ASN A 52 6.169 5.936 -8.135 1.00 53.23 H new ATOM 0 HB3 ASN A 52 5.355 4.392 -8.287 1.00 53.23 H new ATOM 0 HD21 ASN A 52 3.378 7.497 -9.583 1.00 31.44 H new ATOM 0 HD22 ASN A 52 5.114 7.174 -9.615 1.00 31.44 H new ATOM 788 N ASP A 53 3.815 3.313 -6.346 1.00 20.42 N ATOM 789 CA ASP A 53 3.363 1.956 -6.062 1.00 72.50 C ATOM 790 C ASP A 53 4.266 0.929 -6.739 1.00 12.11 C ATOM 791 O ASP A 53 4.973 1.244 -7.696 1.00 60.34 O ATOM 792 CB ASP A 53 1.918 1.769 -6.528 1.00 62.44 C ATOM 793 CG ASP A 53 1.283 0.516 -5.958 1.00 21.31 C ATOM 794 OD1 ASP A 53 1.523 -0.577 -6.513 1.00 60.12 O ATOM 795 OD2 ASP A 53 0.547 0.628 -4.956 1.00 30.13 O ATOM 0 H ASP A 53 3.156 3.873 -6.887 1.00 20.42 H new ATOM 0 HA ASP A 53 3.412 1.801 -4.984 1.00 72.50 H new ATOM 0 HB2 ASP A 53 1.329 2.638 -6.233 1.00 62.44 H new ATOM 0 HB3 ASP A 53 1.894 1.722 -7.617 1.00 62.44 H new ATOM 800 N LYS A 54 4.238 -0.300 -6.235 1.00 12.24 N ATOM 801 CA LYS A 54 5.053 -1.374 -6.789 1.00 51.14 C ATOM 802 C LYS A 54 6.424 -0.855 -7.209 1.00 43.34 C ATOM 803 O LYS A 54 6.852 -1.054 -8.346 1.00 22.11 O ATOM 804 CB LYS A 54 4.347 -2.010 -7.989 1.00 43.12 C ATOM 805 CG LYS A 54 4.011 -1.021 -9.092 1.00 2.32 C ATOM 806 CD LYS A 54 3.608 -1.730 -10.374 1.00 22.04 C ATOM 807 CE LYS A 54 4.425 -1.243 -11.561 1.00 21.14 C ATOM 808 NZ LYS A 54 4.356 -2.191 -12.707 1.00 44.34 N ATOM 0 H LYS A 54 3.659 -0.577 -5.443 1.00 12.24 H new ATOM 0 HA LYS A 54 5.191 -2.128 -6.014 1.00 51.14 H new ATOM 0 HB2 LYS A 54 4.982 -2.796 -8.398 1.00 43.12 H new ATOM 0 HB3 LYS A 54 3.428 -2.487 -7.648 1.00 43.12 H new ATOM 0 HG2 LYS A 54 3.200 -0.371 -8.764 1.00 2.32 H new ATOM 0 HG3 LYS A 54 4.873 -0.382 -9.284 1.00 2.32 H new ATOM 0 HD2 LYS A 54 3.743 -2.805 -10.254 1.00 22.04 H new ATOM 0 HD3 LYS A 54 2.548 -1.561 -10.567 1.00 22.04 H new ATOM 0 HE2 LYS A 54 4.061 -0.265 -11.876 1.00 21.14 H new ATOM 0 HE3 LYS A 54 5.464 -1.114 -11.258 1.00 21.14 H new ATOM 0 HZ1 LYS A 54 4.925 -1.824 -13.496 1.00 44.34 H new ATOM 0 HZ2 LYS A 54 4.727 -3.117 -12.414 1.00 44.34 H new ATOM 0 HZ3 LYS A 54 3.367 -2.295 -13.013 1.00 44.34 H new ATOM 822 N MET A 55 7.109 -0.189 -6.285 1.00 32.43 N ATOM 823 CA MET A 55 8.433 0.356 -6.559 1.00 63.44 C ATOM 824 C MET A 55 9.517 -0.680 -6.277 1.00 32.22 C ATOM 825 O MET A 55 9.221 -1.821 -5.920 1.00 42.13 O ATOM 826 CB MET A 55 8.677 1.609 -5.717 1.00 3.02 C ATOM 827 CG MET A 55 8.618 1.355 -4.219 1.00 43.42 C ATOM 828 SD MET A 55 8.114 2.814 -3.287 1.00 50.10 S ATOM 829 CE MET A 55 6.612 2.219 -2.514 1.00 53.21 C ATOM 0 H MET A 55 6.769 -0.014 -5.340 1.00 32.43 H new ATOM 0 HA MET A 55 8.477 0.623 -7.615 1.00 63.44 H new ATOM 0 HB2 MET A 55 9.654 2.022 -5.969 1.00 3.02 H new ATOM 0 HB3 MET A 55 7.935 2.363 -5.979 1.00 3.02 H new ATOM 0 HG2 MET A 55 7.920 0.542 -4.019 1.00 43.42 H new ATOM 0 HG3 MET A 55 9.597 1.027 -3.871 1.00 43.42 H new ATOM 0 HE1 MET A 55 6.506 2.671 -1.528 1.00 53.21 H new ATOM 0 HE2 MET A 55 5.754 2.488 -3.130 1.00 53.21 H new ATOM 0 HE3 MET A 55 6.660 1.135 -2.413 1.00 53.21 H new ATOM 839 N VAL A 56 10.773 -0.276 -6.438 1.00 53.35 N ATOM 840 CA VAL A 56 11.900 -1.169 -6.200 1.00 2.32 C ATOM 841 C VAL A 56 13.051 -0.432 -5.523 1.00 32.30 C ATOM 842 O VAL A 56 13.600 0.522 -6.074 1.00 53.22 O ATOM 843 CB VAL A 56 12.407 -1.795 -7.512 1.00 65.32 C ATOM 844 CG1 VAL A 56 13.529 -2.785 -7.233 1.00 54.33 C ATOM 845 CG2 VAL A 56 11.265 -2.468 -8.258 1.00 33.05 C ATOM 0 H VAL A 56 11.035 0.665 -6.732 1.00 53.35 H new ATOM 0 HA VAL A 56 11.543 -1.962 -5.543 1.00 2.32 H new ATOM 0 HB VAL A 56 12.804 -1.000 -8.143 1.00 65.32 H new ATOM 0 HG11 VAL A 56 13.875 -3.217 -8.172 1.00 54.33 H new ATOM 0 HG12 VAL A 56 14.356 -2.270 -6.745 1.00 54.33 H new ATOM 0 HG13 VAL A 56 13.161 -3.578 -6.582 1.00 54.33 H new ATOM 0 HG21 VAL A 56 11.642 -2.905 -9.183 1.00 33.05 H new ATOM 0 HG22 VAL A 56 10.836 -3.252 -7.635 1.00 33.05 H new ATOM 0 HG23 VAL A 56 10.498 -1.730 -8.492 1.00 33.05 H new ATOM 855 N ILE A 57 13.411 -0.882 -4.326 1.00 21.32 N ATOM 856 CA ILE A 57 14.498 -0.267 -3.574 1.00 50.04 C ATOM 857 C ILE A 57 15.716 -1.182 -3.520 1.00 63.53 C ATOM 858 O ILE A 57 15.585 -2.404 -3.439 1.00 54.12 O ATOM 859 CB ILE A 57 14.064 0.077 -2.137 1.00 44.32 C ATOM 860 CG1 ILE A 57 12.666 0.699 -2.138 1.00 44.21 C ATOM 861 CG2 ILE A 57 15.069 1.020 -1.492 1.00 41.34 C ATOM 862 CD1 ILE A 57 12.551 1.924 -3.018 1.00 14.20 C ATOM 0 H ILE A 57 12.966 -1.670 -3.856 1.00 21.32 H new ATOM 0 HA ILE A 57 14.761 0.653 -4.096 1.00 50.04 H new ATOM 0 HB ILE A 57 14.031 -0.843 -1.553 1.00 44.32 H new ATOM 0 HG12 ILE A 57 11.945 -0.047 -2.472 1.00 44.21 H new ATOM 0 HG13 ILE A 57 12.396 0.968 -1.117 1.00 44.21 H new ATOM 0 HG21 ILE A 57 14.749 1.254 -0.477 1.00 41.34 H new ATOM 0 HG22 ILE A 57 16.049 0.543 -1.463 1.00 41.34 H new ATOM 0 HG23 ILE A 57 15.131 1.940 -2.074 1.00 41.34 H new ATOM 0 HD11 ILE A 57 11.534 2.312 -2.970 1.00 14.20 H new ATOM 0 HD12 ILE A 57 13.247 2.688 -2.671 1.00 14.20 H new ATOM 0 HD13 ILE A 57 12.789 1.656 -4.047 1.00 14.20 H new ATOM 874 N ASP A 58 16.901 -0.584 -3.564 1.00 64.01 N ATOM 875 CA ASP A 58 18.144 -1.345 -3.517 1.00 65.11 C ATOM 876 C ASP A 58 18.782 -1.259 -2.134 1.00 63.20 C ATOM 877 O ASP A 58 19.168 -0.181 -1.684 1.00 21.05 O ATOM 878 CB ASP A 58 19.122 -0.832 -4.576 1.00 11.02 C ATOM 879 CG ASP A 58 19.435 -1.876 -5.629 1.00 73.24 C ATOM 880 OD1 ASP A 58 18.530 -2.206 -6.424 1.00 41.24 O ATOM 881 OD2 ASP A 58 20.584 -2.364 -5.659 1.00 20.55 O ATOM 0 H ASP A 58 17.027 0.426 -3.632 1.00 64.01 H new ATOM 0 HA ASP A 58 17.910 -2.389 -3.725 1.00 65.11 H new ATOM 0 HB2 ASP A 58 18.701 0.051 -5.058 1.00 11.02 H new ATOM 0 HB3 ASP A 58 20.047 -0.520 -4.091 1.00 11.02 H new ATOM 886 N ALA A 59 18.889 -2.403 -1.465 1.00 54.40 N ATOM 887 CA ALA A 59 19.480 -2.457 -0.134 1.00 1.21 C ATOM 888 C ALA A 59 20.958 -2.828 -0.204 1.00 54.54 C ATOM 889 O ALA A 59 21.317 -3.895 -0.702 1.00 41.44 O ATOM 890 CB ALA A 59 18.726 -3.449 0.739 1.00 60.12 C ATOM 0 H ALA A 59 18.574 -3.304 -1.824 1.00 54.40 H new ATOM 0 HA ALA A 59 19.402 -1.465 0.311 1.00 1.21 H new ATOM 0 HB1 ALA A 59 19.179 -3.479 1.730 1.00 60.12 H new ATOM 0 HB2 ALA A 59 17.684 -3.140 0.825 1.00 60.12 H new ATOM 0 HB3 ALA A 59 18.774 -4.440 0.288 1.00 60.12 H new ATOM 896 N PHE A 60 21.810 -1.940 0.296 1.00 2.44 N ATOM 897 CA PHE A 60 23.250 -2.173 0.288 1.00 34.25 C ATOM 898 C PHE A 60 23.787 -2.306 1.710 1.00 32.25 C ATOM 899 O PHE A 60 23.594 -1.421 2.544 1.00 22.23 O ATOM 900 CB PHE A 60 23.969 -1.033 -0.436 1.00 33.22 C ATOM 901 CG PHE A 60 25.146 -0.490 0.322 1.00 11.42 C ATOM 902 CD1 PHE A 60 26.335 -1.198 0.382 1.00 21.11 C ATOM 903 CD2 PHE A 60 25.063 0.730 0.974 1.00 5.12 C ATOM 904 CE1 PHE A 60 27.419 -0.700 1.080 1.00 65.44 C ATOM 905 CE2 PHE A 60 26.145 1.233 1.673 1.00 52.20 C ATOM 906 CZ PHE A 60 27.325 0.517 1.725 1.00 53.32 C ATOM 0 H PHE A 60 21.529 -1.052 0.712 1.00 2.44 H new ATOM 0 HA PHE A 60 23.439 -3.107 -0.242 1.00 34.25 H new ATOM 0 HB2 PHE A 60 24.306 -1.387 -1.410 1.00 33.22 H new ATOM 0 HB3 PHE A 60 23.260 -0.225 -0.619 1.00 33.22 H new ATOM 0 HD1 PHE A 60 26.416 -2.150 -0.122 1.00 21.11 H new ATOM 0 HD2 PHE A 60 24.143 1.294 0.936 1.00 5.12 H new ATOM 0 HE1 PHE A 60 28.340 -1.263 1.121 1.00 65.44 H new ATOM 0 HE2 PHE A 60 26.067 2.185 2.178 1.00 52.20 H new ATOM 0 HZ PHE A 60 28.172 0.908 2.269 1.00 53.32 H new ATOM 916 N VAL A 61 24.461 -3.419 1.980 1.00 24.41 N ATOM 917 CA VAL A 61 25.027 -3.670 3.300 1.00 4.53 C ATOM 918 C VAL A 61 26.500 -3.279 3.350 1.00 41.41 C ATOM 919 O VAL A 61 27.208 -3.299 2.343 1.00 72.34 O ATOM 920 CB VAL A 61 24.887 -5.150 3.700 1.00 71.42 C ATOM 921 CG1 VAL A 61 23.461 -5.630 3.478 1.00 33.51 C ATOM 922 CG2 VAL A 61 25.874 -6.008 2.922 1.00 52.43 C ATOM 0 H VAL A 61 24.629 -4.162 1.302 1.00 24.41 H new ATOM 0 HA VAL A 61 24.466 -3.057 4.005 1.00 4.53 H new ATOM 0 HB VAL A 61 25.116 -5.245 4.761 1.00 71.42 H new ATOM 0 HG11 VAL A 61 23.381 -6.678 3.766 1.00 33.51 H new ATOM 0 HG12 VAL A 61 22.778 -5.034 4.083 1.00 33.51 H new ATOM 0 HG13 VAL A 61 23.201 -5.522 2.425 1.00 33.51 H new ATOM 0 HG21 VAL A 61 25.761 -7.051 3.217 1.00 52.43 H new ATOM 0 HG22 VAL A 61 25.678 -5.910 1.854 1.00 52.43 H new ATOM 0 HG23 VAL A 61 26.891 -5.678 3.136 1.00 52.43 H new ATOM 932 N PRO A 62 26.975 -2.914 4.550 1.00 43.41 N ATOM 933 CA PRO A 62 28.369 -2.512 4.761 1.00 42.35 C ATOM 934 C PRO A 62 29.337 -3.682 4.624 1.00 31.33 C ATOM 935 O PRO A 62 29.054 -4.790 5.079 1.00 33.03 O ATOM 936 CB PRO A 62 28.372 -1.980 6.196 1.00 40.21 C ATOM 937 CG PRO A 62 27.232 -2.673 6.859 1.00 42.11 C ATOM 938 CD PRO A 62 26.188 -2.866 5.794 1.00 45.43 C ATOM 0 HA PRO A 62 28.699 -1.783 4.021 1.00 42.35 H new ATOM 0 HB2 PRO A 62 29.315 -2.199 6.698 1.00 40.21 H new ATOM 0 HB3 PRO A 62 28.244 -0.898 6.217 1.00 40.21 H new ATOM 0 HG2 PRO A 62 27.546 -3.630 7.275 1.00 42.11 H new ATOM 0 HG3 PRO A 62 26.841 -2.079 7.685 1.00 42.11 H new ATOM 0 HD2 PRO A 62 25.622 -3.785 5.947 1.00 45.43 H new ATOM 0 HD3 PRO A 62 25.469 -2.047 5.783 1.00 45.43 H new ATOM 946 N ALA A 63 30.480 -3.429 3.996 1.00 41.03 N ATOM 947 CA ALA A 63 31.491 -4.461 3.802 1.00 34.52 C ATOM 948 C ALA A 63 32.712 -4.205 4.678 1.00 22.11 C ATOM 949 O ALA A 63 32.860 -3.126 5.253 1.00 64.52 O ATOM 950 CB ALA A 63 31.895 -4.536 2.337 1.00 3.04 C ATOM 0 H ALA A 63 30.729 -2.517 3.612 1.00 41.03 H new ATOM 0 HA ALA A 63 31.060 -5.417 4.097 1.00 34.52 H new ATOM 0 HB1 ALA A 63 32.651 -5.311 2.207 1.00 3.04 H new ATOM 0 HB2 ALA A 63 31.022 -4.776 1.731 1.00 3.04 H new ATOM 0 HB3 ALA A 63 32.303 -3.575 2.022 1.00 3.04 H new ATOM 956 N ASP A 64 33.584 -5.203 4.776 1.00 11.31 N ATOM 957 CA ASP A 64 34.793 -5.085 5.582 1.00 4.22 C ATOM 958 C ASP A 64 35.843 -4.240 4.867 1.00 51.11 C ATOM 959 O ASP A 64 36.292 -4.584 3.775 1.00 43.35 O ATOM 960 CB ASP A 64 35.362 -6.470 5.893 1.00 34.43 C ATOM 961 CG ASP A 64 34.287 -7.457 6.306 1.00 64.44 C ATOM 962 OD1 ASP A 64 33.649 -7.236 7.356 1.00 3.03 O ATOM 963 OD2 ASP A 64 34.084 -8.451 5.577 1.00 0.12 O ATOM 0 H ASP A 64 33.476 -6.102 4.307 1.00 11.31 H new ATOM 0 HA ASP A 64 34.529 -4.591 6.517 1.00 4.22 H new ATOM 0 HB2 ASP A 64 35.883 -6.851 5.015 1.00 34.43 H new ATOM 0 HB3 ASP A 64 36.100 -6.386 6.691 1.00 34.43 H new ATOM 968 N GLY A 65 36.229 -3.131 5.491 1.00 13.11 N ATOM 969 CA GLY A 65 37.221 -2.253 4.899 1.00 63.42 C ATOM 970 C GLY A 65 38.213 -1.729 5.918 1.00 43.11 C ATOM 971 O GLY A 65 38.659 -0.585 5.829 1.00 71.43 O ATOM 0 H GLY A 65 35.872 -2.825 6.396 1.00 13.11 H new ATOM 0 HA2 GLY A 65 37.758 -2.791 4.117 1.00 63.42 H new ATOM 0 HA3 GLY A 65 36.718 -1.413 4.420 1.00 63.42 H new ATOM 975 N ALA A 66 38.559 -2.566 6.890 1.00 33.34 N ATOM 976 CA ALA A 66 39.504 -2.181 7.930 1.00 4.35 C ATOM 977 C ALA A 66 39.100 -0.861 8.578 1.00 12.23 C ATOM 978 O ALA A 66 39.500 0.212 8.127 1.00 33.42 O ATOM 979 CB ALA A 66 40.909 -2.080 7.355 1.00 3.23 C ATOM 0 H ALA A 66 38.198 -3.516 6.979 1.00 33.34 H new ATOM 0 HA ALA A 66 39.493 -2.952 8.700 1.00 4.35 H new ATOM 0 HB1 ALA A 66 41.605 -1.792 8.143 1.00 3.23 H new ATOM 0 HB2 ALA A 66 41.205 -3.046 6.945 1.00 3.23 H new ATOM 0 HB3 ALA A 66 40.925 -1.330 6.564 1.00 3.23 H new ATOM 985 N GLY A 67 38.303 -0.947 9.639 1.00 30.23 N ATOM 986 CA GLY A 67 37.857 0.248 10.331 1.00 31.12 C ATOM 987 C GLY A 67 38.684 0.546 11.566 1.00 20.31 C ATOM 988 O GLY A 67 38.156 0.603 12.677 1.00 12.44 O ATOM 0 H GLY A 67 37.958 -1.823 10.031 1.00 30.23 H new ATOM 0 HA2 GLY A 67 37.907 1.098 9.650 1.00 31.12 H new ATOM 0 HA3 GLY A 67 36.812 0.130 10.617 1.00 31.12 H new ATOM 992 N LEU A 68 39.985 0.734 11.374 1.00 71.24 N ATOM 993 CA LEU A 68 40.888 1.026 12.481 1.00 31.35 C ATOM 994 C LEU A 68 40.547 2.367 13.123 1.00 43.02 C ATOM 995 O LEU A 68 40.058 2.420 14.251 1.00 65.42 O ATOM 996 CB LEU A 68 42.338 1.034 11.995 1.00 61.24 C ATOM 997 CG LEU A 68 43.247 -0.051 12.574 1.00 74.12 C ATOM 998 CD1 LEU A 68 44.391 -0.355 11.619 1.00 0.43 C ATOM 999 CD2 LEU A 68 43.782 0.372 13.934 1.00 21.30 C ATOM 0 H LEU A 68 40.438 0.689 10.461 1.00 71.24 H new ATOM 0 HA LEU A 68 40.768 0.244 13.231 1.00 31.35 H new ATOM 0 HB2 LEU A 68 42.337 0.937 10.909 1.00 61.24 H new ATOM 0 HB3 LEU A 68 42.773 2.006 12.228 1.00 61.24 H new ATOM 0 HG LEU A 68 42.659 -0.960 12.704 1.00 74.12 H new ATOM 0 HD11 LEU A 68 45.027 -1.129 12.048 1.00 0.43 H new ATOM 0 HD12 LEU A 68 43.988 -0.702 10.668 1.00 0.43 H new ATOM 0 HD13 LEU A 68 44.979 0.548 11.456 1.00 0.43 H new ATOM 0 HD21 LEU A 68 44.427 -0.412 14.331 1.00 21.30 H new ATOM 0 HD22 LEU A 68 44.354 1.294 13.829 1.00 21.30 H new ATOM 0 HD23 LEU A 68 42.949 0.537 14.617 1.00 21.30 H new ATOM 1011 N GLU A 69 40.807 3.448 12.395 1.00 42.45 N ATOM 1012 CA GLU A 69 40.526 4.790 12.893 1.00 64.31 C ATOM 1013 C GLU A 69 39.084 4.899 13.379 1.00 70.30 C ATOM 1014 O GLU A 69 38.832 5.089 14.568 1.00 25.54 O ATOM 1015 CB GLU A 69 40.788 5.829 11.801 1.00 72.25 C ATOM 1016 CG GLU A 69 40.085 5.523 10.488 1.00 23.45 C ATOM 1017 CD GLU A 69 38.592 5.778 10.553 1.00 40.12 C ATOM 1018 OE1 GLU A 69 38.185 6.756 11.214 1.00 33.33 O ATOM 1019 OE2 GLU A 69 37.831 5.000 9.941 1.00 73.22 O ATOM 0 H GLU A 69 41.211 3.421 11.459 1.00 42.45 H new ATOM 0 HA GLU A 69 41.191 4.984 13.735 1.00 64.31 H new ATOM 0 HB2 GLU A 69 40.465 6.807 12.157 1.00 72.25 H new ATOM 0 HB3 GLU A 69 41.861 5.893 11.622 1.00 72.25 H new ATOM 0 HG2 GLU A 69 40.520 6.133 9.696 1.00 23.45 H new ATOM 0 HG3 GLU A 69 40.261 4.481 10.220 1.00 23.45 H new TER 1026 GLU A 69