USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -160:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -52:sc= -0.115 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 24 SER OG : rot 180:sc= -0.154 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.81) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 33:sc= -0.253 USER MOD Single : A 35 SER OG : rot -176:sc= 0.00368 USER MOD Single : A 36 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.0067) USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 55 GLN : amide:sc= -0.368 K(o=-0.37,f=-3.1!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -82:sc= 0.0727 USER MOD Single : A 71 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.71) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.61) USER MOD Single : A 81 SER OG : rot -60:sc= 0.0497 USER MOD Single : A 83 SER OG : rot 180:sc= -1.24 USER MOD Single : A 89 SER OG : rot -46:sc= 0.39 USER MOD Single : A 95 MET CE :methyl 164:sc= -0.0118 (180deg=-0.27) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.055 0.037 -0.376 1.00 22.11 N ATOM 2 CA PRO A 1 2.106 -0.239 -1.360 1.00 2.31 C ATOM 3 C PRO A 1 1.842 -1.518 -2.147 1.00 42.53 C ATOM 4 O PRO A 1 1.048 -2.362 -1.731 1.00 61.32 O ATOM 5 CB PRO A 1 3.365 -0.389 -0.502 1.00 32.43 C ATOM 6 CG PRO A 1 2.863 -0.811 0.836 1.00 12.21 C ATOM 7 CD PRO A 1 1.528 -0.141 1.007 1.00 13.34 C ATOM 0 H2 PRO A 1 0.262 -0.582 -0.545 1.00 22.11 H new ATOM 0 H3 PRO A 1 0.719 0.992 -0.499 1.00 22.11 H new ATOM 0 HA PRO A 1 2.177 0.547 -2.112 1.00 2.31 H new ATOM 0 HB2 PRO A 1 4.044 -1.131 -0.922 1.00 32.43 H new ATOM 0 HB3 PRO A 1 3.916 0.549 -0.440 1.00 32.43 H new ATOM 0 HG2 PRO A 1 2.766 -1.895 0.892 1.00 12.21 H new ATOM 0 HG3 PRO A 1 3.554 -0.512 1.624 1.00 12.21 H new ATOM 0 HD2 PRO A 1 0.842 -0.755 1.590 1.00 13.34 H new ATOM 0 HD3 PRO A 1 1.621 0.813 1.526 1.00 13.34 H new ATOM 15 N LEU A 2 2.512 -1.654 -3.286 1.00 64.51 N ATOM 16 CA LEU A 2 2.351 -2.832 -4.132 1.00 55.33 C ATOM 17 C LEU A 2 3.580 -3.045 -5.010 1.00 12.13 C ATOM 18 O LEU A 2 3.600 -2.651 -6.176 1.00 51.14 O ATOM 19 CB LEU A 2 1.104 -2.688 -5.007 1.00 41.32 C ATOM 20 CG LEU A 2 0.486 -3.991 -5.514 1.00 72.04 C ATOM 21 CD1 LEU A 2 -0.178 -4.746 -4.374 1.00 33.25 C ATOM 22 CD2 LEU A 2 -0.516 -3.709 -6.625 1.00 31.44 C ATOM 0 H LEU A 2 3.172 -0.964 -3.645 1.00 64.51 H new ATOM 0 HA LEU A 2 2.236 -3.701 -3.484 1.00 55.33 H new ATOM 0 HB2 LEU A 2 0.347 -2.147 -4.439 1.00 41.32 H new ATOM 0 HB3 LEU A 2 1.358 -2.071 -5.868 1.00 41.32 H new ATOM 0 HG LEU A 2 1.282 -4.615 -5.920 1.00 72.04 H new ATOM 0 HD11 LEU A 2 -0.612 -5.671 -4.754 1.00 33.25 H new ATOM 0 HD12 LEU A 2 0.565 -4.981 -3.612 1.00 33.25 H new ATOM 0 HD13 LEU A 2 -0.963 -4.129 -3.938 1.00 33.25 H new ATOM 0 HD21 LEU A 2 -0.946 -4.648 -6.974 1.00 31.44 H new ATOM 0 HD22 LEU A 2 -1.309 -3.066 -6.245 1.00 31.44 H new ATOM 0 HD23 LEU A 2 -0.011 -3.211 -7.453 1.00 31.44 H new ATOM 34 N THR A 3 4.605 -3.673 -4.442 1.00 34.15 N ATOM 35 CA THR A 3 5.837 -3.940 -5.172 1.00 23.04 C ATOM 36 C THR A 3 6.237 -5.407 -5.057 1.00 45.54 C ATOM 37 O THR A 3 5.700 -6.144 -4.231 1.00 52.21 O ATOM 38 CB THR A 3 6.995 -3.062 -4.659 1.00 71.42 C ATOM 39 OG1 THR A 3 6.476 -1.892 -4.018 1.00 33.34 O ATOM 40 CG2 THR A 3 7.912 -2.655 -5.802 1.00 64.43 C ATOM 0 H THR A 3 4.606 -4.006 -3.478 1.00 34.15 H new ATOM 0 HA THR A 3 5.644 -3.700 -6.217 1.00 23.04 H new ATOM 0 HB THR A 3 7.572 -3.644 -3.940 1.00 71.42 H new ATOM 0 HG1 THR A 3 7.172 -1.204 -3.980 1.00 33.34 H new ATOM 0 HG21 THR A 3 8.722 -2.036 -5.416 1.00 64.43 H new ATOM 0 HG22 THR A 3 8.329 -3.547 -6.270 1.00 64.43 H new ATOM 0 HG23 THR A 3 7.344 -2.090 -6.541 1.00 64.43 H new ATOM 48 N ARG A 4 7.185 -5.823 -5.891 1.00 74.34 N ATOM 49 CA ARG A 4 7.656 -7.203 -5.884 1.00 3.22 C ATOM 50 C ARG A 4 8.812 -7.388 -6.863 1.00 10.42 C ATOM 51 O ARG A 4 8.689 -8.062 -7.886 1.00 5.42 O ATOM 52 CB ARG A 4 6.514 -8.157 -6.240 1.00 45.40 C ATOM 53 CG ARG A 4 6.665 -9.541 -5.631 1.00 70.01 C ATOM 54 CD ARG A 4 5.728 -10.543 -6.288 1.00 23.15 C ATOM 55 NE ARG A 4 6.408 -11.793 -6.618 1.00 42.31 N ATOM 56 CZ ARG A 4 5.872 -12.743 -7.375 1.00 72.23 C ATOM 57 NH1 ARG A 4 4.655 -12.587 -7.878 1.00 31.00 N ATOM 58 NH2 ARG A 4 6.553 -13.853 -7.632 1.00 3.55 N ATOM 0 H ARG A 4 7.642 -5.225 -6.579 1.00 74.34 H new ATOM 0 HA ARG A 4 8.012 -7.433 -4.880 1.00 3.22 H new ATOM 0 HB2 ARG A 4 5.572 -7.723 -5.906 1.00 45.40 H new ATOM 0 HB3 ARG A 4 6.455 -8.251 -7.324 1.00 45.40 H new ATOM 0 HG2 ARG A 4 7.696 -9.878 -5.742 1.00 70.01 H new ATOM 0 HG3 ARG A 4 6.458 -9.494 -4.562 1.00 70.01 H new ATOM 0 HD2 ARG A 4 4.892 -10.750 -5.619 1.00 23.15 H new ATOM 0 HD3 ARG A 4 5.310 -10.107 -7.195 1.00 23.15 H new ATOM 0 HE ARG A 4 7.346 -11.944 -6.247 1.00 42.31 H new ATOM 0 HH11 ARG A 4 4.128 -11.735 -7.684 1.00 31.00 H new ATOM 0 HH12 ARG A 4 4.246 -13.319 -8.459 1.00 31.00 H new ATOM 0 HH21 ARG A 4 7.490 -13.977 -7.248 1.00 3.55 H new ATOM 0 HH22 ARG A 4 6.140 -14.582 -8.214 1.00 3.55 H new ATOM 72 N PRO A 5 9.962 -6.775 -6.544 1.00 13.11 N ATOM 73 CA PRO A 5 11.161 -6.857 -7.382 1.00 65.12 C ATOM 74 C PRO A 5 11.785 -8.249 -7.367 1.00 50.43 C ATOM 75 O PRO A 5 11.465 -9.073 -6.511 1.00 24.42 O ATOM 76 CB PRO A 5 12.110 -5.839 -6.744 1.00 62.14 C ATOM 77 CG PRO A 5 11.668 -5.747 -5.325 1.00 24.33 C ATOM 78 CD PRO A 5 10.179 -5.955 -5.340 1.00 63.21 C ATOM 0 HA PRO A 5 10.940 -6.656 -8.430 1.00 65.12 H new ATOM 0 HB2 PRO A 5 13.147 -6.166 -6.815 1.00 62.14 H new ATOM 0 HB3 PRO A 5 12.046 -4.872 -7.242 1.00 62.14 H new ATOM 0 HG2 PRO A 5 12.161 -6.502 -4.713 1.00 24.33 H new ATOM 0 HG3 PRO A 5 11.922 -4.776 -4.899 1.00 24.33 H new ATOM 0 HD2 PRO A 5 9.835 -6.464 -4.440 1.00 63.21 H new ATOM 0 HD3 PRO A 5 9.641 -5.008 -5.396 1.00 63.21 H new ATOM 86 N TYR A 6 12.676 -8.503 -8.319 1.00 52.32 N ATOM 87 CA TYR A 6 13.343 -9.796 -8.416 1.00 53.34 C ATOM 88 C TYR A 6 14.580 -9.839 -7.524 1.00 75.02 C ATOM 89 O TYR A 6 15.194 -8.809 -7.244 1.00 64.13 O ATOM 90 CB TYR A 6 13.736 -10.083 -9.866 1.00 51.45 C ATOM 91 CG TYR A 6 13.433 -11.497 -10.307 1.00 50.25 C ATOM 92 CD1 TYR A 6 12.137 -11.882 -10.630 1.00 65.11 C ATOM 93 CD2 TYR A 6 14.442 -12.448 -10.401 1.00 14.33 C ATOM 94 CE1 TYR A 6 11.856 -13.173 -11.033 1.00 33.22 C ATOM 95 CE2 TYR A 6 14.169 -13.741 -10.804 1.00 2.40 C ATOM 96 CZ TYR A 6 12.875 -14.099 -11.119 1.00 11.53 C ATOM 97 OH TYR A 6 12.599 -15.386 -11.519 1.00 43.24 O ATOM 0 H TYR A 6 12.953 -7.831 -9.034 1.00 52.32 H new ATOM 0 HA TYR A 6 12.646 -10.562 -8.077 1.00 53.34 H new ATOM 0 HB2 TYR A 6 13.211 -9.387 -10.520 1.00 51.45 H new ATOM 0 HB3 TYR A 6 14.802 -9.894 -9.989 1.00 51.45 H new ATOM 0 HD1 TYR A 6 11.337 -11.160 -10.565 1.00 65.11 H new ATOM 0 HD2 TYR A 6 15.457 -12.172 -10.155 1.00 14.33 H new ATOM 0 HE1 TYR A 6 10.843 -13.456 -11.280 1.00 33.22 H new ATOM 0 HE2 TYR A 6 14.965 -14.468 -10.872 1.00 2.40 H new ATOM 0 HH TYR A 6 13.427 -15.911 -11.527 1.00 43.24 H new ATOM 107 N LEU A 7 14.939 -11.039 -7.081 1.00 1.52 N ATOM 108 CA LEU A 7 16.103 -11.219 -6.220 1.00 43.14 C ATOM 109 C LEU A 7 17.371 -11.395 -7.050 1.00 3.43 C ATOM 110 O LEU A 7 17.435 -12.250 -7.932 1.00 11.13 O ATOM 111 CB LEU A 7 15.905 -12.431 -5.308 1.00 11.50 C ATOM 112 CG LEU A 7 14.698 -12.375 -4.371 1.00 11.41 C ATOM 113 CD1 LEU A 7 14.575 -10.996 -3.740 1.00 61.23 C ATOM 114 CD2 LEU A 7 13.424 -12.736 -5.120 1.00 53.33 C ATOM 0 H LEU A 7 14.441 -11.901 -7.303 1.00 1.52 H new ATOM 0 HA LEU A 7 16.213 -10.325 -5.607 1.00 43.14 H new ATOM 0 HB2 LEU A 7 15.814 -13.320 -5.933 1.00 11.50 H new ATOM 0 HB3 LEU A 7 16.803 -12.557 -4.704 1.00 11.50 H new ATOM 0 HG LEU A 7 14.847 -13.104 -3.575 1.00 11.41 H new ATOM 0 HD11 LEU A 7 13.710 -10.975 -3.076 1.00 61.23 H new ATOM 0 HD12 LEU A 7 15.477 -10.776 -3.168 1.00 61.23 H new ATOM 0 HD13 LEU A 7 14.450 -10.248 -4.523 1.00 61.23 H new ATOM 0 HD21 LEU A 7 12.575 -12.691 -4.437 1.00 53.33 H new ATOM 0 HD22 LEU A 7 13.270 -12.031 -5.937 1.00 53.33 H new ATOM 0 HD23 LEU A 7 13.512 -13.745 -5.523 1.00 53.33 H new ATOM 126 N GLY A 8 18.381 -10.580 -6.758 1.00 53.44 N ATOM 127 CA GLY A 8 19.634 -10.663 -7.485 1.00 4.54 C ATOM 128 C GLY A 8 20.812 -10.955 -6.576 1.00 62.35 C ATOM 129 O GLY A 8 21.918 -10.464 -6.804 1.00 20.00 O ATOM 0 H GLY A 8 18.353 -9.865 -6.032 1.00 53.44 H new ATOM 0 HA2 GLY A 8 19.561 -11.444 -8.242 1.00 4.54 H new ATOM 0 HA3 GLY A 8 19.808 -9.724 -8.011 1.00 4.54 H new ATOM 133 N PHE A 9 20.576 -11.757 -5.543 1.00 52.31 N ATOM 134 CA PHE A 9 21.626 -12.112 -4.595 1.00 75.03 C ATOM 135 C PHE A 9 21.665 -13.620 -4.367 1.00 73.34 C ATOM 136 O PHE A 9 20.799 -14.354 -4.846 1.00 3.32 O ATOM 137 CB PHE A 9 21.407 -11.389 -3.265 1.00 35.34 C ATOM 138 CG PHE A 9 20.187 -11.857 -2.522 1.00 44.31 C ATOM 139 CD1 PHE A 9 18.920 -11.629 -3.032 1.00 74.15 C ATOM 140 CD2 PHE A 9 20.309 -12.523 -1.313 1.00 64.15 C ATOM 141 CE1 PHE A 9 17.796 -12.058 -2.352 1.00 34.20 C ATOM 142 CE2 PHE A 9 19.189 -12.955 -0.629 1.00 2.12 C ATOM 143 CZ PHE A 9 17.931 -12.721 -1.148 1.00 33.11 C ATOM 0 H PHE A 9 19.667 -12.173 -5.341 1.00 52.31 H new ATOM 0 HA PHE A 9 22.582 -11.801 -5.016 1.00 75.03 H new ATOM 0 HB2 PHE A 9 22.284 -11.532 -2.634 1.00 35.34 H new ATOM 0 HB3 PHE A 9 21.320 -10.319 -3.452 1.00 35.34 H new ATOM 0 HD1 PHE A 9 18.809 -11.110 -3.972 1.00 74.15 H new ATOM 0 HD2 PHE A 9 21.290 -12.706 -0.901 1.00 64.15 H new ATOM 0 HE1 PHE A 9 16.814 -11.875 -2.761 1.00 34.20 H new ATOM 0 HE2 PHE A 9 19.297 -13.475 0.311 1.00 2.12 H new ATOM 0 HZ PHE A 9 17.054 -13.056 -0.613 1.00 33.11 H new ATOM 153 N ARG A 10 22.675 -14.076 -3.634 1.00 41.21 N ATOM 154 CA ARG A 10 22.829 -15.496 -3.344 1.00 20.22 C ATOM 155 C ARG A 10 22.640 -15.770 -1.855 1.00 32.43 C ATOM 156 O ARG A 10 22.699 -14.857 -1.032 1.00 14.50 O ATOM 157 CB ARG A 10 24.208 -15.984 -3.792 1.00 1.52 C ATOM 158 CG ARG A 10 24.304 -16.250 -5.285 1.00 64.21 C ATOM 159 CD ARG A 10 25.185 -17.455 -5.580 1.00 52.52 C ATOM 160 NE ARG A 10 26.564 -17.067 -5.867 1.00 35.52 N ATOM 161 CZ ARG A 10 26.953 -16.534 -7.019 1.00 53.13 C ATOM 162 NH1 ARG A 10 26.072 -16.325 -7.988 1.00 13.32 N ATOM 163 NH2 ARG A 10 28.225 -16.208 -7.205 1.00 5.13 N ATOM 0 H ARG A 10 23.399 -13.482 -3.230 1.00 41.21 H new ATOM 0 HA ARG A 10 22.062 -16.039 -3.897 1.00 20.22 H new ATOM 0 HB2 ARG A 10 24.955 -15.240 -3.515 1.00 1.52 H new ATOM 0 HB3 ARG A 10 24.454 -16.898 -3.252 1.00 1.52 H new ATOM 0 HG2 ARG A 10 23.306 -16.419 -5.691 1.00 64.21 H new ATOM 0 HG3 ARG A 10 24.708 -15.371 -5.787 1.00 64.21 H new ATOM 0 HD2 ARG A 10 25.169 -18.133 -4.727 1.00 52.52 H new ATOM 0 HD3 ARG A 10 24.778 -18.002 -6.430 1.00 52.52 H new ATOM 0 HE ARG A 10 27.267 -17.214 -5.142 1.00 35.52 H new ATOM 0 HH11 ARG A 10 25.093 -16.574 -7.849 1.00 13.32 H new ATOM 0 HH12 ARG A 10 26.374 -15.915 -8.872 1.00 13.32 H new ATOM 0 HH21 ARG A 10 28.906 -16.367 -6.462 1.00 5.13 H new ATOM 0 HH22 ARG A 10 28.522 -15.799 -8.091 1.00 5.13 H new ATOM 177 N VAL A 11 22.412 -17.035 -1.515 1.00 73.34 N ATOM 178 CA VAL A 11 22.214 -17.430 -0.126 1.00 23.41 C ATOM 179 C VAL A 11 22.609 -18.887 0.093 1.00 54.24 C ATOM 180 O VAL A 11 22.156 -19.777 -0.626 1.00 65.42 O ATOM 181 CB VAL A 11 20.750 -17.235 0.310 1.00 21.44 C ATOM 182 CG1 VAL A 11 20.460 -15.764 0.565 1.00 20.22 C ATOM 183 CG2 VAL A 11 19.803 -17.801 -0.737 1.00 53.51 C ATOM 0 H VAL A 11 22.360 -17.804 -2.183 1.00 73.34 H new ATOM 0 HA VAL A 11 22.854 -16.788 0.480 1.00 23.41 H new ATOM 0 HB VAL A 11 20.591 -17.778 1.242 1.00 21.44 H new ATOM 0 HG11 VAL A 11 19.421 -15.646 0.872 1.00 20.22 H new ATOM 0 HG12 VAL A 11 21.116 -15.395 1.354 1.00 20.22 H new ATOM 0 HG13 VAL A 11 20.635 -15.195 -0.348 1.00 20.22 H new ATOM 0 HG21 VAL A 11 18.773 -17.655 -0.413 1.00 53.51 H new ATOM 0 HG22 VAL A 11 19.961 -17.288 -1.686 1.00 53.51 H new ATOM 0 HG23 VAL A 11 19.996 -18.866 -0.864 1.00 53.51 H new ATOM 193 N ALA A 12 23.454 -19.122 1.090 1.00 4.34 N ATOM 194 CA ALA A 12 23.908 -20.471 1.406 1.00 41.52 C ATOM 195 C ALA A 12 23.290 -20.967 2.709 1.00 45.23 C ATOM 196 O ALA A 12 23.454 -20.348 3.760 1.00 21.13 O ATOM 197 CB ALA A 12 25.427 -20.510 1.490 1.00 33.44 C ATOM 0 H ALA A 12 23.839 -18.395 1.694 1.00 4.34 H new ATOM 0 HA ALA A 12 23.583 -21.135 0.605 1.00 41.52 H new ATOM 0 HB1 ALA A 12 25.752 -21.523 1.727 1.00 33.44 H new ATOM 0 HB2 ALA A 12 25.852 -20.206 0.533 1.00 33.44 H new ATOM 0 HB3 ALA A 12 25.766 -19.829 2.270 1.00 33.44 H new ATOM 203 N VAL A 13 22.579 -22.087 2.632 1.00 22.21 N ATOM 204 CA VAL A 13 21.937 -22.667 3.806 1.00 41.13 C ATOM 205 C VAL A 13 22.872 -23.634 4.522 1.00 24.33 C ATOM 206 O VAL A 13 23.530 -24.461 3.891 1.00 33.04 O ATOM 207 CB VAL A 13 20.641 -23.408 3.428 1.00 60.23 C ATOM 208 CG1 VAL A 13 20.941 -24.558 2.478 1.00 52.33 C ATOM 209 CG2 VAL A 13 19.931 -23.909 4.676 1.00 33.03 C ATOM 0 H VAL A 13 22.433 -22.611 1.769 1.00 22.21 H new ATOM 0 HA VAL A 13 21.693 -21.841 4.474 1.00 41.13 H new ATOM 0 HB VAL A 13 19.979 -22.709 2.917 1.00 60.23 H new ATOM 0 HG11 VAL A 13 20.013 -25.070 2.222 1.00 52.33 H new ATOM 0 HG12 VAL A 13 21.403 -24.169 1.571 1.00 52.33 H new ATOM 0 HG13 VAL A 13 21.622 -25.260 2.960 1.00 52.33 H new ATOM 0 HG21 VAL A 13 19.017 -24.430 4.390 1.00 33.03 H new ATOM 0 HG22 VAL A 13 20.585 -24.593 5.217 1.00 33.03 H new ATOM 0 HG23 VAL A 13 19.681 -23.063 5.317 1.00 33.03 H new ATOM 219 N GLY A 14 22.927 -23.525 5.846 1.00 31.24 N ATOM 220 CA GLY A 14 23.785 -24.397 6.628 1.00 54.21 C ATOM 221 C GLY A 14 23.739 -24.079 8.109 1.00 10.23 C ATOM 222 O GLY A 14 22.720 -23.613 8.620 1.00 60.40 O ATOM 0 H GLY A 14 22.393 -22.848 6.391 1.00 31.24 H new ATOM 0 HA2 GLY A 14 23.484 -25.433 6.472 1.00 54.21 H new ATOM 0 HA3 GLY A 14 24.811 -24.307 6.272 1.00 54.21 H new ATOM 226 N ARG A 15 24.845 -24.332 8.801 1.00 11.35 N ATOM 227 CA ARG A 15 24.926 -24.072 10.234 1.00 51.12 C ATOM 228 C ARG A 15 26.098 -23.148 10.553 1.00 34.14 C ATOM 229 O ARG A 15 27.143 -23.208 9.906 1.00 21.41 O ATOM 230 CB ARG A 15 25.073 -25.385 11.004 1.00 22.33 C ATOM 231 CG ARG A 15 23.976 -26.394 10.704 1.00 4.21 C ATOM 232 CD ARG A 15 22.946 -26.445 11.821 1.00 32.01 C ATOM 233 NE ARG A 15 23.167 -27.576 12.718 1.00 34.12 N ATOM 234 CZ ARG A 15 22.326 -27.921 13.687 1.00 74.02 C ATOM 235 NH1 ARG A 15 21.213 -27.226 13.882 1.00 24.21 N ATOM 236 NH2 ARG A 15 22.596 -28.963 14.462 1.00 21.40 N ATOM 0 H ARG A 15 25.697 -24.717 8.393 1.00 11.35 H new ATOM 0 HA ARG A 15 24.003 -23.580 10.542 1.00 51.12 H new ATOM 0 HB2 ARG A 15 26.039 -25.830 10.766 1.00 22.33 H new ATOM 0 HB3 ARG A 15 25.076 -25.171 12.073 1.00 22.33 H new ATOM 0 HG2 ARG A 15 23.485 -26.132 9.767 1.00 4.21 H new ATOM 0 HG3 ARG A 15 24.416 -27.382 10.568 1.00 4.21 H new ATOM 0 HD2 ARG A 15 22.984 -25.517 12.392 1.00 32.01 H new ATOM 0 HD3 ARG A 15 21.947 -26.514 11.390 1.00 32.01 H new ATOM 0 HE ARG A 15 24.013 -28.132 12.594 1.00 34.12 H new ATOM 0 HH11 ARG A 15 21.001 -26.425 13.287 1.00 24.21 H new ATOM 0 HH12 ARG A 15 20.569 -27.493 14.627 1.00 24.21 H new ATOM 0 HH21 ARG A 15 23.450 -29.501 14.314 1.00 21.40 H new ATOM 0 HH22 ARG A 15 21.949 -29.227 15.206 1.00 21.40 H new ATOM 250 N ASP A 16 25.915 -22.294 11.555 1.00 71.44 N ATOM 251 CA ASP A 16 26.957 -21.358 11.961 1.00 74.03 C ATOM 252 C ASP A 16 27.778 -21.926 13.114 1.00 43.03 C ATOM 253 O ASP A 16 27.574 -23.065 13.533 1.00 75.11 O ATOM 254 CB ASP A 16 26.338 -20.020 12.369 1.00 24.02 C ATOM 255 CG ASP A 16 25.108 -20.192 13.238 1.00 72.02 C ATOM 256 OD1 ASP A 16 24.031 -20.503 12.687 1.00 71.13 O ATOM 257 OD2 ASP A 16 25.222 -20.016 14.469 1.00 73.43 O ATOM 0 H ASP A 16 25.055 -22.231 12.100 1.00 71.44 H new ATOM 0 HA ASP A 16 27.620 -21.199 11.111 1.00 74.03 H new ATOM 0 HB2 ASP A 16 27.079 -19.429 12.907 1.00 24.02 H new ATOM 0 HB3 ASP A 16 26.071 -19.458 11.474 1.00 24.02 H new ATOM 262 N SER A 17 28.709 -21.125 13.621 1.00 4.52 N ATOM 263 CA SER A 17 29.566 -21.549 14.722 1.00 33.05 C ATOM 264 C SER A 17 28.734 -21.915 15.948 1.00 75.54 C ATOM 265 O SER A 17 29.152 -22.723 16.777 1.00 1.11 O ATOM 266 CB SER A 17 30.560 -20.442 15.079 1.00 34.15 C ATOM 267 OG SER A 17 31.798 -20.986 15.502 1.00 43.41 O ATOM 0 H SER A 17 28.889 -20.178 13.287 1.00 4.52 H new ATOM 0 HA SER A 17 30.117 -22.433 14.401 1.00 33.05 H new ATOM 0 HB2 SER A 17 30.719 -19.798 14.214 1.00 34.15 H new ATOM 0 HB3 SER A 17 30.145 -19.817 15.869 1.00 34.15 H new ATOM 0 HG SER A 17 32.417 -20.259 15.723 1.00 43.41 H new ATOM 273 N SER A 18 27.552 -21.315 16.054 1.00 63.42 N ATOM 274 CA SER A 18 26.662 -21.575 17.179 1.00 54.31 C ATOM 275 C SER A 18 25.721 -22.736 16.871 1.00 42.10 C ATOM 276 O SER A 18 25.697 -23.736 17.587 1.00 74.11 O ATOM 277 CB SER A 18 25.850 -20.322 17.514 1.00 43.43 C ATOM 278 OG SER A 18 25.220 -20.445 18.777 1.00 52.42 O ATOM 0 H SER A 18 27.189 -20.646 15.375 1.00 63.42 H new ATOM 0 HA SER A 18 27.274 -21.844 18.040 1.00 54.31 H new ATOM 0 HB2 SER A 18 26.504 -19.450 17.514 1.00 43.43 H new ATOM 0 HB3 SER A 18 25.097 -20.156 16.743 1.00 43.43 H new ATOM 0 HG SER A 18 24.709 -19.631 18.968 1.00 52.42 H new ATOM 284 N GLY A 19 24.948 -22.595 15.799 1.00 55.42 N ATOM 285 CA GLY A 19 24.015 -23.638 15.414 1.00 65.21 C ATOM 286 C GLY A 19 22.571 -23.184 15.493 1.00 24.13 C ATOM 287 O GLY A 19 21.803 -23.678 16.320 1.00 41.34 O ATOM 0 H GLY A 19 24.951 -21.777 15.190 1.00 55.42 H new ATOM 0 HA2 GLY A 19 24.236 -23.961 14.397 1.00 65.21 H new ATOM 0 HA3 GLY A 19 24.156 -24.504 16.061 1.00 65.21 H new ATOM 291 N CYS A 20 22.202 -22.241 14.634 1.00 13.34 N ATOM 292 CA CYS A 20 20.840 -21.718 14.612 1.00 1.24 C ATOM 293 C CYS A 20 20.189 -21.953 13.253 1.00 3.03 C ATOM 294 O CYS A 20 18.989 -21.739 13.082 1.00 53.44 O ATOM 295 CB CYS A 20 20.840 -20.224 14.940 1.00 41.11 C ATOM 296 SG CYS A 20 21.374 -19.168 13.572 1.00 34.42 S ATOM 0 H CYS A 20 22.826 -21.823 13.944 1.00 13.34 H new ATOM 0 HA CYS A 20 20.261 -22.248 15.368 1.00 1.24 H new ATOM 0 HB2 CYS A 20 19.835 -19.929 15.242 1.00 41.11 H new ATOM 0 HB3 CYS A 20 21.493 -20.051 15.795 1.00 41.11 H new ATOM 0 HG CYS A 20 22.519 -19.588 13.121 1.00 34.42 H new ATOM 302 N THR A 21 20.990 -22.394 12.288 1.00 52.12 N ATOM 303 CA THR A 21 20.493 -22.655 10.943 1.00 60.41 C ATOM 304 C THR A 21 20.020 -21.371 10.272 1.00 42.11 C ATOM 305 O THR A 21 18.847 -21.008 10.359 1.00 13.40 O ATOM 306 CB THR A 21 19.334 -23.669 10.960 1.00 75.34 C ATOM 307 OG1 THR A 21 19.492 -24.577 12.056 1.00 12.51 O ATOM 308 CG2 THR A 21 19.277 -24.448 9.654 1.00 21.42 C ATOM 0 H THR A 21 21.985 -22.578 12.413 1.00 52.12 H new ATOM 0 HA THR A 21 21.324 -23.073 10.375 1.00 60.41 H new ATOM 0 HB THR A 21 18.401 -23.118 11.077 1.00 75.34 H new ATOM 0 HG1 THR A 21 18.750 -25.217 12.060 1.00 12.51 H new ATOM 0 HG21 THR A 21 18.451 -25.158 9.690 1.00 21.42 H new ATOM 0 HG22 THR A 21 19.126 -23.757 8.825 1.00 21.42 H new ATOM 0 HG23 THR A 21 20.213 -24.988 9.511 1.00 21.42 H new ATOM 316 N THR A 22 20.941 -20.686 9.601 1.00 52.42 N ATOM 317 CA THR A 22 20.618 -19.441 8.915 1.00 40.20 C ATOM 318 C THR A 22 21.380 -19.324 7.600 1.00 41.01 C ATOM 319 O THR A 22 22.410 -19.972 7.407 1.00 33.24 O ATOM 320 CB THR A 22 20.940 -18.216 9.792 1.00 31.32 C ATOM 321 OG1 THR A 22 20.880 -17.021 9.006 1.00 13.01 O ATOM 322 CG2 THR A 22 22.319 -18.348 10.420 1.00 44.33 C ATOM 0 H THR A 22 21.916 -20.973 9.518 1.00 52.42 H new ATOM 0 HA THR A 22 19.547 -19.462 8.711 1.00 40.20 H new ATOM 0 HB THR A 22 20.199 -18.163 10.589 1.00 31.32 H new ATOM 0 HG1 THR A 22 21.084 -16.247 9.571 1.00 13.01 H new ATOM 0 HG21 THR A 22 22.524 -17.472 11.035 1.00 44.33 H new ATOM 0 HG22 THR A 22 22.352 -19.243 11.042 1.00 44.33 H new ATOM 0 HG23 THR A 22 23.071 -18.424 9.634 1.00 44.33 H new ATOM 330 N LEU A 23 20.869 -18.494 6.697 1.00 4.35 N ATOM 331 CA LEU A 23 21.503 -18.291 5.399 1.00 1.02 C ATOM 332 C LEU A 23 22.329 -17.009 5.391 1.00 44.12 C ATOM 333 O LEU A 23 22.020 -16.055 6.104 1.00 1.50 O ATOM 334 CB LEU A 23 20.445 -18.236 4.296 1.00 33.41 C ATOM 335 CG LEU A 23 20.036 -19.580 3.691 1.00 43.24 C ATOM 336 CD1 LEU A 23 19.485 -20.504 4.765 1.00 22.12 C ATOM 337 CD2 LEU A 23 19.013 -19.377 2.583 1.00 12.51 C ATOM 0 H LEU A 23 20.018 -17.951 6.840 1.00 4.35 H new ATOM 0 HA LEU A 23 22.170 -19.132 5.213 1.00 1.02 H new ATOM 0 HB2 LEU A 23 19.554 -17.755 4.699 1.00 33.41 H new ATOM 0 HB3 LEU A 23 20.817 -17.598 3.495 1.00 33.41 H new ATOM 0 HG LEU A 23 20.922 -20.047 3.260 1.00 43.24 H new ATOM 0 HD11 LEU A 23 19.199 -21.455 4.315 1.00 22.12 H new ATOM 0 HD12 LEU A 23 20.248 -20.676 5.524 1.00 22.12 H new ATOM 0 HD13 LEU A 23 18.611 -20.044 5.227 1.00 22.12 H new ATOM 0 HD21 LEU A 23 18.734 -20.344 2.164 1.00 12.51 H new ATOM 0 HD22 LEU A 23 18.128 -18.888 2.990 1.00 12.51 H new ATOM 0 HD23 LEU A 23 19.444 -18.753 1.800 1.00 12.51 H new ATOM 349 N SER A 24 23.381 -16.994 4.577 1.00 15.34 N ATOM 350 CA SER A 24 24.253 -15.829 4.477 1.00 74.41 C ATOM 351 C SER A 24 24.181 -15.215 3.082 1.00 34.50 C ATOM 352 O SER A 24 24.253 -15.923 2.077 1.00 54.45 O ATOM 353 CB SER A 24 25.696 -16.218 4.802 1.00 43.42 C ATOM 354 OG SER A 24 26.484 -15.071 5.072 1.00 22.11 O ATOM 0 H SER A 24 23.650 -17.775 3.978 1.00 15.34 H new ATOM 0 HA SER A 24 23.913 -15.087 5.199 1.00 74.41 H new ATOM 0 HB2 SER A 24 25.711 -16.885 5.664 1.00 43.42 H new ATOM 0 HB3 SER A 24 26.125 -16.769 3.965 1.00 43.42 H new ATOM 0 HG SER A 24 27.402 -15.346 5.279 1.00 22.11 H new ATOM 360 N ILE A 25 24.038 -13.895 3.030 1.00 21.42 N ATOM 361 CA ILE A 25 23.957 -13.186 1.760 1.00 44.43 C ATOM 362 C ILE A 25 25.347 -12.875 1.215 1.00 41.45 C ATOM 363 O ILE A 25 26.121 -12.150 1.839 1.00 0.21 O ATOM 364 CB ILE A 25 23.167 -11.871 1.898 1.00 34.33 C ATOM 365 CG1 ILE A 25 21.850 -12.118 2.637 1.00 31.53 C ATOM 366 CG2 ILE A 25 22.905 -11.263 0.528 1.00 25.34 C ATOM 367 CD1 ILE A 25 21.024 -10.867 2.835 1.00 12.21 C ATOM 0 H ILE A 25 23.976 -13.295 3.853 1.00 21.42 H new ATOM 0 HA ILE A 25 23.434 -13.843 1.065 1.00 44.43 H new ATOM 0 HB ILE A 25 23.762 -11.166 2.479 1.00 34.33 H new ATOM 0 HG12 ILE A 25 21.262 -12.848 2.080 1.00 31.53 H new ATOM 0 HG13 ILE A 25 22.066 -12.559 3.610 1.00 31.53 H new ATOM 0 HG21 ILE A 25 22.346 -10.334 0.643 1.00 25.34 H new ATOM 0 HG22 ILE A 25 23.854 -11.056 0.034 1.00 25.34 H new ATOM 0 HG23 ILE A 25 22.327 -11.962 -0.076 1.00 25.34 H new ATOM 0 HD11 ILE A 25 20.105 -11.118 3.365 1.00 12.21 H new ATOM 0 HD12 ILE A 25 21.594 -10.143 3.418 1.00 12.21 H new ATOM 0 HD13 ILE A 25 20.777 -10.437 1.864 1.00 12.21 H new ATOM 379 N GLN A 26 25.655 -13.426 0.045 1.00 23.43 N ATOM 380 CA GLN A 26 26.952 -13.207 -0.585 1.00 12.54 C ATOM 381 C GLN A 26 26.851 -12.158 -1.687 1.00 14.40 C ATOM 382 O GLN A 26 27.739 -12.043 -2.531 1.00 31.42 O ATOM 383 CB GLN A 26 27.492 -14.517 -1.159 1.00 61.13 C ATOM 384 CG GLN A 26 27.816 -15.558 -0.100 1.00 74.41 C ATOM 385 CD GLN A 26 27.546 -16.974 -0.572 1.00 2.24 C ATOM 386 OE1 GLN A 26 28.474 -17.743 -0.825 1.00 74.03 O ATOM 387 NE2 GLN A 26 26.271 -17.326 -0.692 1.00 4.45 N ATOM 0 H GLN A 26 25.024 -14.027 -0.486 1.00 23.43 H new ATOM 0 HA GLN A 26 27.641 -12.842 0.177 1.00 12.54 H new ATOM 0 HB2 GLN A 26 26.758 -14.931 -1.851 1.00 61.13 H new ATOM 0 HB3 GLN A 26 28.392 -14.307 -1.737 1.00 61.13 H new ATOM 0 HG2 GLN A 26 28.864 -15.467 0.184 1.00 74.41 H new ATOM 0 HG3 GLN A 26 27.225 -15.358 0.794 1.00 74.41 H new ATOM 0 HE21 GLN A 26 25.534 -16.656 -0.471 1.00 4.45 H new ATOM 0 HE22 GLN A 26 26.029 -18.266 -1.005 1.00 4.45 H new ATOM 396 N GLU A 27 25.762 -11.394 -1.673 1.00 21.41 N ATOM 397 CA GLU A 27 25.545 -10.356 -2.673 1.00 43.31 C ATOM 398 C GLU A 27 24.872 -9.135 -2.052 1.00 45.34 C ATOM 399 O GLU A 27 24.764 -9.026 -0.831 1.00 13.30 O ATOM 400 CB GLU A 27 24.690 -10.894 -3.822 1.00 44.33 C ATOM 401 CG GLU A 27 25.323 -10.705 -5.191 1.00 75.41 C ATOM 402 CD GLU A 27 26.380 -11.749 -5.494 1.00 2.02 C ATOM 403 OE1 GLU A 27 26.196 -12.916 -5.089 1.00 5.34 O ATOM 404 OE2 GLU A 27 27.392 -11.398 -6.136 1.00 61.15 O ATOM 0 H GLU A 27 25.018 -11.475 -0.980 1.00 21.41 H new ATOM 0 HA GLU A 27 26.517 -10.055 -3.064 1.00 43.31 H new ATOM 0 HB2 GLU A 27 24.505 -11.956 -3.660 1.00 44.33 H new ATOM 0 HB3 GLU A 27 23.721 -10.396 -3.807 1.00 44.33 H new ATOM 0 HG2 GLU A 27 24.547 -10.747 -5.955 1.00 75.41 H new ATOM 0 HG3 GLU A 27 25.771 -9.713 -5.246 1.00 75.41 H new ATOM 411 N VAL A 28 24.423 -8.218 -2.903 1.00 51.32 N ATOM 412 CA VAL A 28 23.760 -7.004 -2.440 1.00 22.53 C ATOM 413 C VAL A 28 22.386 -6.849 -3.082 1.00 21.44 C ATOM 414 O VAL A 28 22.269 -6.425 -4.232 1.00 4.34 O ATOM 415 CB VAL A 28 24.603 -5.752 -2.747 1.00 74.34 C ATOM 416 CG1 VAL A 28 24.088 -4.556 -1.961 1.00 64.10 C ATOM 417 CG2 VAL A 28 26.071 -6.010 -2.443 1.00 35.14 C ATOM 0 H VAL A 28 24.506 -8.292 -3.917 1.00 51.32 H new ATOM 0 HA VAL A 28 23.644 -7.099 -1.360 1.00 22.53 H new ATOM 0 HB VAL A 28 24.511 -5.525 -3.809 1.00 74.34 H new ATOM 0 HG11 VAL A 28 24.696 -3.681 -2.191 1.00 64.10 H new ATOM 0 HG12 VAL A 28 23.051 -4.360 -2.235 1.00 64.10 H new ATOM 0 HG13 VAL A 28 24.147 -4.769 -0.894 1.00 64.10 H new ATOM 0 HG21 VAL A 28 26.652 -5.115 -2.666 1.00 35.14 H new ATOM 0 HG22 VAL A 28 26.185 -6.264 -1.389 1.00 35.14 H new ATOM 0 HG23 VAL A 28 26.430 -6.837 -3.056 1.00 35.14 H new ATOM 427 N THR A 29 21.345 -7.196 -2.330 1.00 64.33 N ATOM 428 CA THR A 29 19.978 -7.097 -2.825 1.00 43.54 C ATOM 429 C THR A 29 19.338 -5.777 -2.409 1.00 73.43 C ATOM 430 O THR A 29 18.377 -5.321 -3.029 1.00 64.30 O ATOM 431 CB THR A 29 19.109 -8.260 -2.313 1.00 60.42 C ATOM 432 OG1 THR A 29 17.847 -8.263 -2.989 1.00 74.30 O ATOM 433 CG2 THR A 29 18.886 -8.150 -0.812 1.00 44.24 C ATOM 0 H THR A 29 21.424 -7.548 -1.376 1.00 64.33 H new ATOM 0 HA THR A 29 20.031 -7.146 -3.913 1.00 43.54 H new ATOM 0 HB THR A 29 19.633 -9.193 -2.519 1.00 60.42 H new ATOM 0 HG1 THR A 29 17.301 -9.007 -2.659 1.00 74.30 H new ATOM 0 HG21 THR A 29 18.269 -8.983 -0.474 1.00 44.24 H new ATOM 0 HG22 THR A 29 19.847 -8.178 -0.298 1.00 44.24 H new ATOM 0 HG23 THR A 29 18.382 -7.210 -0.587 1.00 44.24 H new ATOM 441 N GLN A 30 19.876 -5.169 -1.357 1.00 61.41 N ATOM 442 CA GLN A 30 19.356 -3.902 -0.859 1.00 54.30 C ATOM 443 C GLN A 30 19.833 -2.740 -1.724 1.00 55.22 C ATOM 444 O GLN A 30 20.481 -1.813 -1.237 1.00 22.34 O ATOM 445 CB GLN A 30 19.788 -3.684 0.592 1.00 12.40 C ATOM 446 CG GLN A 30 19.426 -4.836 1.515 1.00 75.24 C ATOM 447 CD GLN A 30 18.296 -4.490 2.465 1.00 62.41 C ATOM 448 OE1 GLN A 30 17.151 -4.895 2.260 1.00 24.24 O ATOM 449 NE2 GLN A 30 18.613 -3.738 3.512 1.00 12.21 N ATOM 0 H GLN A 30 20.672 -5.534 -0.833 1.00 61.41 H new ATOM 0 HA GLN A 30 18.268 -3.942 -0.904 1.00 54.30 H new ATOM 0 HB2 GLN A 30 20.867 -3.531 0.622 1.00 12.40 H new ATOM 0 HB3 GLN A 30 19.326 -2.771 0.966 1.00 12.40 H new ATOM 0 HG2 GLN A 30 19.140 -5.700 0.916 1.00 75.24 H new ATOM 0 HG3 GLN A 30 20.305 -5.125 2.092 1.00 75.24 H new ATOM 0 HE21 GLN A 30 19.575 -3.425 3.642 1.00 12.21 H new ATOM 0 HE22 GLN A 30 17.895 -3.473 4.186 1.00 12.21 H new ATOM 458 N THR A 31 19.508 -2.795 -3.012 1.00 55.12 N ATOM 459 CA THR A 31 19.904 -1.748 -3.946 1.00 32.51 C ATOM 460 C THR A 31 18.925 -1.651 -5.110 1.00 71.03 C ATOM 461 O THR A 31 19.277 -1.181 -6.193 1.00 23.54 O ATOM 462 CB THR A 31 21.320 -1.996 -4.500 1.00 34.43 C ATOM 463 OG1 THR A 31 21.423 -3.334 -5.000 1.00 32.11 O ATOM 464 CG2 THR A 31 22.369 -1.770 -3.422 1.00 64.12 C ATOM 0 H THR A 31 18.971 -3.554 -3.432 1.00 55.12 H new ATOM 0 HA THR A 31 19.898 -0.810 -3.391 1.00 32.51 H new ATOM 0 HB THR A 31 21.498 -1.291 -5.312 1.00 34.43 H new ATOM 0 HG1 THR A 31 22.325 -3.483 -5.352 1.00 32.11 H new ATOM 0 HG21 THR A 31 23.361 -1.951 -3.836 1.00 64.12 H new ATOM 0 HG22 THR A 31 22.307 -0.742 -3.064 1.00 64.12 H new ATOM 0 HG23 THR A 31 22.192 -2.455 -2.593 1.00 64.12 H new ATOM 472 N TYR A 32 17.695 -2.097 -4.882 1.00 14.55 N ATOM 473 CA TYR A 32 16.665 -2.061 -5.913 1.00 53.10 C ATOM 474 C TYR A 32 15.309 -1.694 -5.317 1.00 21.32 C ATOM 475 O TYR A 32 15.005 -2.040 -4.175 1.00 11.14 O ATOM 476 CB TYR A 32 16.574 -3.414 -6.620 1.00 22.41 C ATOM 477 CG TYR A 32 16.364 -3.305 -8.113 1.00 54.31 C ATOM 478 CD1 TYR A 32 15.087 -3.178 -8.647 1.00 11.43 C ATOM 479 CD2 TYR A 32 17.441 -3.329 -8.990 1.00 74.24 C ATOM 480 CE1 TYR A 32 14.889 -3.078 -10.010 1.00 43.24 C ATOM 481 CE2 TYR A 32 17.253 -3.229 -10.355 1.00 53.52 C ATOM 482 CZ TYR A 32 15.975 -3.103 -10.860 1.00 63.34 C ATOM 483 OH TYR A 32 15.784 -3.004 -12.219 1.00 72.15 O ATOM 0 H TYR A 32 17.387 -2.488 -3.992 1.00 14.55 H new ATOM 0 HA TYR A 32 16.941 -1.297 -6.639 1.00 53.10 H new ATOM 0 HB2 TYR A 32 17.489 -3.976 -6.430 1.00 22.41 H new ATOM 0 HB3 TYR A 32 15.753 -3.986 -6.187 1.00 22.41 H new ATOM 0 HD1 TYR A 32 14.235 -3.157 -7.984 1.00 11.43 H new ATOM 0 HD2 TYR A 32 18.443 -3.428 -8.598 1.00 74.24 H new ATOM 0 HE1 TYR A 32 13.890 -2.981 -10.408 1.00 43.24 H new ATOM 0 HE2 TYR A 32 18.101 -3.249 -11.023 1.00 53.52 H new ATOM 0 HH TYR A 32 16.651 -3.037 -12.674 1.00 72.15 H new ATOM 493 N THR A 33 14.496 -0.991 -6.100 1.00 22.34 N ATOM 494 CA THR A 33 13.173 -0.576 -5.651 1.00 61.31 C ATOM 495 C THR A 33 12.347 -0.029 -6.809 1.00 53.41 C ATOM 496 O THR A 33 12.846 0.125 -7.923 1.00 21.51 O ATOM 497 CB THR A 33 13.264 0.495 -4.548 1.00 42.33 C ATOM 498 OG1 THR A 33 11.994 0.644 -3.904 1.00 2.12 O ATOM 499 CG2 THR A 33 13.704 1.831 -5.127 1.00 45.42 C ATOM 0 H THR A 33 14.731 -0.697 -7.048 1.00 22.34 H new ATOM 0 HA THR A 33 12.684 -1.462 -5.246 1.00 61.31 H new ATOM 0 HB THR A 33 14.005 0.171 -3.818 1.00 42.33 H new ATOM 0 HG1 THR A 33 11.532 -0.220 -3.888 1.00 2.12 H new ATOM 0 HG21 THR A 33 13.761 2.572 -4.330 1.00 45.42 H new ATOM 0 HG22 THR A 33 14.684 1.721 -5.591 1.00 45.42 H new ATOM 0 HG23 THR A 33 12.982 2.158 -5.876 1.00 45.42 H new ATOM 507 N GLY A 34 11.079 0.266 -6.538 1.00 73.11 N ATOM 508 CA GLY A 34 10.203 0.794 -7.568 1.00 45.31 C ATOM 509 C GLY A 34 8.775 0.956 -7.088 1.00 11.20 C ATOM 510 O GLY A 34 8.456 0.627 -5.946 1.00 34.23 O ATOM 0 H GLY A 34 10.643 0.149 -5.623 1.00 73.11 H new ATOM 0 HA2 GLY A 34 10.582 1.760 -7.903 1.00 45.31 H new ATOM 0 HA3 GLY A 34 10.220 0.128 -8.431 1.00 45.31 H new ATOM 514 N SER A 35 7.913 1.467 -7.962 1.00 32.44 N ATOM 515 CA SER A 35 6.511 1.677 -7.619 1.00 2.14 C ATOM 516 C SER A 35 6.364 2.809 -6.606 1.00 53.15 C ATOM 517 O SER A 35 5.969 3.921 -6.956 1.00 24.24 O ATOM 518 CB SER A 35 5.904 0.391 -7.055 1.00 14.22 C ATOM 519 OG SER A 35 4.885 -0.107 -7.905 1.00 23.20 O ATOM 0 H SER A 35 8.161 1.743 -8.912 1.00 32.44 H new ATOM 0 HA SER A 35 5.977 1.954 -8.528 1.00 2.14 H new ATOM 0 HB2 SER A 35 6.684 -0.362 -6.937 1.00 14.22 H new ATOM 0 HB3 SER A 35 5.494 0.583 -6.064 1.00 14.22 H new ATOM 0 HG SER A 35 4.466 -0.889 -7.490 1.00 23.20 H new ATOM 525 N ASN A 36 6.684 2.516 -5.350 1.00 55.51 N ATOM 526 CA ASN A 36 6.586 3.509 -4.286 1.00 24.23 C ATOM 527 C ASN A 36 7.673 4.570 -4.430 1.00 62.33 C ATOM 528 O ASN A 36 7.402 5.700 -4.833 1.00 43.13 O ATOM 529 CB ASN A 36 6.697 2.832 -2.918 1.00 0.42 C ATOM 530 CG ASN A 36 5.388 2.858 -2.153 1.00 0.15 C ATOM 531 OD1 ASN A 36 4.424 2.190 -2.527 1.00 23.34 O ATOM 532 ND2 ASN A 36 5.348 3.633 -1.075 1.00 23.45 N ATOM 0 H ASN A 36 7.013 1.600 -5.044 1.00 55.51 H new ATOM 0 HA ASN A 36 5.614 3.997 -4.366 1.00 24.23 H new ATOM 0 HB2 ASN A 36 7.016 1.798 -3.052 1.00 0.42 H new ATOM 0 HB3 ASN A 36 7.468 3.330 -2.330 1.00 0.42 H new ATOM 0 HD21 ASN A 36 4.494 3.692 -0.520 1.00 23.45 H new ATOM 0 HD22 ASN A 36 6.171 4.170 -0.802 1.00 23.45 H new ATOM 539 N GLY A 37 8.905 4.196 -4.098 1.00 44.25 N ATOM 540 CA GLY A 37 10.015 5.126 -4.199 1.00 12.35 C ATOM 541 C GLY A 37 11.111 4.625 -5.118 1.00 55.13 C ATOM 542 O GLY A 37 12.188 4.245 -4.662 1.00 40.11 O ATOM 0 H GLY A 37 9.154 3.266 -3.761 1.00 44.25 H new ATOM 0 HA2 GLY A 37 9.649 6.085 -4.565 1.00 12.35 H new ATOM 0 HA3 GLY A 37 10.430 5.301 -3.206 1.00 12.35 H new ATOM 546 N GLY A 38 10.834 4.623 -6.419 1.00 24.50 N ATOM 547 CA GLY A 38 11.814 4.160 -7.384 1.00 43.24 C ATOM 548 C GLY A 38 13.173 4.803 -7.185 1.00 55.12 C ATOM 549 O GLY A 38 13.274 6.020 -7.031 1.00 62.24 O ATOM 0 H GLY A 38 9.949 4.933 -6.821 1.00 24.50 H new ATOM 0 HA2 GLY A 38 11.913 3.077 -7.306 1.00 43.24 H new ATOM 0 HA3 GLY A 38 11.457 4.376 -8.391 1.00 43.24 H new ATOM 553 N ALA A 39 14.219 3.984 -7.186 1.00 61.12 N ATOM 554 CA ALA A 39 15.578 4.480 -7.004 1.00 74.15 C ATOM 555 C ALA A 39 16.588 3.338 -7.038 1.00 11.21 C ATOM 556 O ALA A 39 17.609 3.380 -6.351 1.00 60.05 O ATOM 557 CB ALA A 39 15.689 5.247 -5.695 1.00 54.34 C ATOM 0 H ALA A 39 14.152 2.974 -7.311 1.00 61.12 H new ATOM 0 HA ALA A 39 15.805 5.156 -7.828 1.00 74.15 H new ATOM 0 HB1 ALA A 39 16.709 5.611 -5.572 1.00 54.34 H new ATOM 0 HB2 ALA A 39 15.001 6.092 -5.709 1.00 54.34 H new ATOM 0 HB3 ALA A 39 15.437 4.588 -4.864 1.00 54.34 H new ATOM 563 N ASP A 40 16.296 2.320 -7.839 1.00 63.24 N ATOM 564 CA ASP A 40 17.180 1.166 -7.962 1.00 51.24 C ATOM 565 C ASP A 40 18.611 1.607 -8.252 1.00 64.31 C ATOM 566 O ASP A 40 18.921 2.063 -9.354 1.00 1.15 O ATOM 567 CB ASP A 40 16.686 0.234 -9.070 1.00 11.30 C ATOM 568 CG ASP A 40 16.354 0.979 -10.348 1.00 14.10 C ATOM 569 OD1 ASP A 40 17.269 1.177 -11.174 1.00 73.51 O ATOM 570 OD2 ASP A 40 15.178 1.365 -10.522 1.00 5.34 O ATOM 0 H ASP A 40 15.454 2.270 -8.413 1.00 63.24 H new ATOM 0 HA ASP A 40 17.169 0.628 -7.014 1.00 51.24 H new ATOM 0 HB2 ASP A 40 17.450 -0.515 -9.278 1.00 11.30 H new ATOM 0 HB3 ASP A 40 15.801 -0.300 -8.724 1.00 11.30 H new ATOM 575 N LEU A 41 19.480 1.468 -7.257 1.00 3.21 N ATOM 576 CA LEU A 41 20.880 1.853 -7.404 1.00 32.20 C ATOM 577 C LEU A 41 21.688 1.447 -6.176 1.00 1.14 C ATOM 578 O LEU A 41 22.511 0.534 -6.236 1.00 1.30 O ATOM 579 CB LEU A 41 20.994 3.362 -7.628 1.00 73.30 C ATOM 580 CG LEU A 41 22.391 3.888 -7.957 1.00 62.22 C ATOM 581 CD1 LEU A 41 22.797 3.480 -9.365 1.00 23.32 C ATOM 582 CD2 LEU A 41 22.441 5.401 -7.803 1.00 64.12 C ATOM 0 H LEU A 41 19.240 1.092 -6.340 1.00 3.21 H new ATOM 0 HA LEU A 41 21.285 1.332 -8.271 1.00 32.20 H new ATOM 0 HB2 LEU A 41 20.322 3.640 -8.440 1.00 73.30 H new ATOM 0 HB3 LEU A 41 20.638 3.870 -6.732 1.00 73.30 H new ATOM 0 HG LEU A 41 23.099 3.448 -7.255 1.00 62.22 H new ATOM 0 HD11 LEU A 41 23.794 3.863 -9.582 1.00 23.32 H new ATOM 0 HD12 LEU A 41 22.802 2.393 -9.442 1.00 23.32 H new ATOM 0 HD13 LEU A 41 22.087 3.891 -10.082 1.00 23.32 H new ATOM 0 HD21 LEU A 41 23.443 5.758 -8.041 1.00 64.12 H new ATOM 0 HD22 LEU A 41 21.722 5.860 -8.481 1.00 64.12 H new ATOM 0 HD23 LEU A 41 22.194 5.671 -6.776 1.00 64.12 H new ATOM 594 N MET A 42 21.446 2.131 -5.062 1.00 35.51 N ATOM 595 CA MET A 42 22.149 1.839 -3.818 1.00 73.42 C ATOM 596 C MET A 42 21.695 2.776 -2.704 1.00 13.30 C ATOM 597 O MET A 42 21.786 3.997 -2.831 1.00 30.51 O ATOM 598 CB MET A 42 23.660 1.962 -4.021 1.00 1.33 C ATOM 599 CG MET A 42 24.451 0.820 -3.405 1.00 62.42 C ATOM 600 SD MET A 42 25.963 1.378 -2.596 1.00 72.12 S ATOM 601 CE MET A 42 26.887 2.001 -3.998 1.00 51.13 C ATOM 0 H MET A 42 20.769 2.891 -4.996 1.00 35.51 H new ATOM 0 HA MET A 42 21.911 0.816 -3.526 1.00 73.42 H new ATOM 0 HB2 MET A 42 23.872 2.005 -5.089 1.00 1.33 H new ATOM 0 HB3 MET A 42 24.001 2.903 -3.590 1.00 1.33 H new ATOM 0 HG2 MET A 42 23.826 0.300 -2.679 1.00 62.42 H new ATOM 0 HG3 MET A 42 24.704 0.098 -4.182 1.00 62.42 H new ATOM 0 HE1 MET A 42 27.871 2.333 -3.667 1.00 51.13 H new ATOM 0 HE2 MET A 42 27.002 1.210 -4.739 1.00 51.13 H new ATOM 0 HE3 MET A 42 26.352 2.840 -4.443 1.00 51.13 H new ATOM 611 N GLY A 43 21.205 2.197 -1.612 1.00 13.32 N ATOM 612 CA GLY A 43 20.744 2.997 -0.492 1.00 35.42 C ATOM 613 C GLY A 43 20.727 2.218 0.809 1.00 65.25 C ATOM 614 O GLY A 43 21.543 2.444 1.703 1.00 41.14 O ATOM 0 H GLY A 43 21.119 1.189 -1.483 1.00 13.32 H new ATOM 0 HA2 GLY A 43 21.390 3.868 -0.382 1.00 35.42 H new ATOM 0 HA3 GLY A 43 19.741 3.368 -0.703 1.00 35.42 H new ATOM 618 N PRO A 44 19.779 1.277 0.928 1.00 62.34 N ATOM 619 CA PRO A 44 19.637 0.444 2.125 1.00 34.33 C ATOM 620 C PRO A 44 20.782 -0.552 2.279 1.00 14.50 C ATOM 621 O PRO A 44 20.895 -1.228 3.300 1.00 23.35 O ATOM 622 CB PRO A 44 18.316 -0.293 1.890 1.00 73.13 C ATOM 623 CG PRO A 44 18.157 -0.321 0.409 1.00 75.12 C ATOM 624 CD PRO A 44 18.774 0.953 -0.098 1.00 74.02 C ATOM 0 HA PRO A 44 19.653 1.038 3.038 1.00 34.33 H new ATOM 0 HB2 PRO A 44 18.346 -1.301 2.304 1.00 73.13 H new ATOM 0 HB3 PRO A 44 17.484 0.224 2.368 1.00 73.13 H new ATOM 0 HG2 PRO A 44 18.652 -1.192 -0.020 1.00 75.12 H new ATOM 0 HG3 PRO A 44 17.105 -0.383 0.131 1.00 75.12 H new ATOM 0 HD2 PRO A 44 19.230 0.816 -1.078 1.00 74.02 H new ATOM 0 HD3 PRO A 44 18.033 1.746 -0.199 1.00 74.02 H new ATOM 632 N ALA A 45 21.628 -0.635 1.258 1.00 42.21 N ATOM 633 CA ALA A 45 22.766 -1.546 1.281 1.00 11.32 C ATOM 634 C ALA A 45 23.971 -0.902 1.959 1.00 34.03 C ATOM 635 O ALA A 45 24.758 -1.579 2.622 1.00 52.55 O ATOM 636 CB ALA A 45 23.123 -1.980 -0.132 1.00 62.15 C ATOM 0 H ALA A 45 21.547 -0.083 0.404 1.00 42.21 H new ATOM 0 HA ALA A 45 22.484 -2.426 1.859 1.00 11.32 H new ATOM 0 HB1 ALA A 45 23.974 -2.660 -0.100 1.00 62.15 H new ATOM 0 HB2 ALA A 45 22.270 -2.487 -0.583 1.00 62.15 H new ATOM 0 HB3 ALA A 45 23.381 -1.104 -0.727 1.00 62.15 H new ATOM 642 N PHE A 46 24.109 0.409 1.789 1.00 21.33 N ATOM 643 CA PHE A 46 25.220 1.144 2.384 1.00 74.52 C ATOM 644 C PHE A 46 24.793 1.814 3.686 1.00 13.13 C ATOM 645 O PHE A 46 25.592 1.966 4.610 1.00 71.33 O ATOM 646 CB PHE A 46 25.746 2.195 1.404 1.00 32.34 C ATOM 647 CG PHE A 46 27.037 2.827 1.840 1.00 70.43 C ATOM 648 CD1 PHE A 46 28.091 2.044 2.283 1.00 44.53 C ATOM 649 CD2 PHE A 46 27.196 4.202 1.805 1.00 5.55 C ATOM 650 CE1 PHE A 46 29.280 2.624 2.685 1.00 63.54 C ATOM 651 CE2 PHE A 46 28.383 4.787 2.206 1.00 42.23 C ATOM 652 CZ PHE A 46 29.427 3.996 2.645 1.00 52.41 C ATOM 0 H PHE A 46 23.466 0.984 1.245 1.00 21.33 H new ATOM 0 HA PHE A 46 26.016 0.434 2.606 1.00 74.52 H new ATOM 0 HB2 PHE A 46 25.889 1.731 0.428 1.00 32.34 H new ATOM 0 HB3 PHE A 46 24.993 2.973 1.280 1.00 32.34 H new ATOM 0 HD1 PHE A 46 27.983 0.970 2.315 1.00 44.53 H new ATOM 0 HD2 PHE A 46 26.384 4.825 1.461 1.00 5.55 H new ATOM 0 HE1 PHE A 46 30.094 2.004 3.030 1.00 63.54 H new ATOM 0 HE2 PHE A 46 28.494 5.861 2.176 1.00 42.23 H new ATOM 0 HZ PHE A 46 30.356 4.450 2.956 1.00 52.41 H new ATOM 662 N ALA A 47 23.527 2.214 3.752 1.00 41.23 N ATOM 663 CA ALA A 47 22.993 2.867 4.940 1.00 12.13 C ATOM 664 C ALA A 47 22.785 1.865 6.071 1.00 64.02 C ATOM 665 O ALA A 47 23.051 2.164 7.235 1.00 42.15 O ATOM 666 CB ALA A 47 21.686 3.573 4.612 1.00 53.30 C ATOM 0 H ALA A 47 22.852 2.097 2.996 1.00 41.23 H new ATOM 0 HA ALA A 47 23.720 3.607 5.274 1.00 12.13 H new ATOM 0 HB1 ALA A 47 21.299 4.056 5.509 1.00 53.30 H new ATOM 0 HB2 ALA A 47 21.862 4.324 3.842 1.00 53.30 H new ATOM 0 HB3 ALA A 47 20.960 2.845 4.250 1.00 53.30 H new ATOM 672 N ALA A 48 22.308 0.675 5.720 1.00 4.14 N ATOM 673 CA ALA A 48 22.067 -0.371 6.706 1.00 73.41 C ATOM 674 C ALA A 48 23.296 -1.258 6.878 1.00 14.53 C ATOM 675 O ALA A 48 23.382 -2.039 7.825 1.00 50.50 O ATOM 676 CB ALA A 48 20.862 -1.209 6.302 1.00 43.22 C ATOM 0 H ALA A 48 22.081 0.412 4.761 1.00 4.14 H new ATOM 0 HA ALA A 48 21.860 0.107 7.663 1.00 73.41 H new ATOM 0 HB1 ALA A 48 20.693 -1.986 7.047 1.00 43.22 H new ATOM 0 HB2 ALA A 48 19.981 -0.571 6.237 1.00 43.22 H new ATOM 0 HB3 ALA A 48 21.048 -1.670 5.332 1.00 43.22 H new ATOM 682 N GLY A 49 24.245 -1.131 5.956 1.00 60.20 N ATOM 683 CA GLY A 49 25.456 -1.928 6.024 1.00 2.42 C ATOM 684 C GLY A 49 25.306 -3.271 5.338 1.00 43.10 C ATOM 685 O GLY A 49 26.230 -4.085 5.342 1.00 24.43 O ATOM 0 H GLY A 49 24.197 -0.491 5.163 1.00 60.20 H new ATOM 0 HA2 GLY A 49 26.276 -1.377 5.563 1.00 2.42 H new ATOM 0 HA3 GLY A 49 25.726 -2.085 7.068 1.00 2.42 H new ATOM 689 N LEU A 50 24.139 -3.505 4.748 1.00 44.22 N ATOM 690 CA LEU A 50 23.870 -4.760 4.055 1.00 24.22 C ATOM 691 C LEU A 50 24.834 -4.956 2.889 1.00 54.23 C ATOM 692 O LEU A 50 24.698 -4.317 1.845 1.00 1.22 O ATOM 693 CB LEU A 50 22.427 -4.787 3.550 1.00 71.44 C ATOM 694 CG LEU A 50 21.413 -5.493 4.451 1.00 1.43 C ATOM 695 CD1 LEU A 50 21.641 -6.996 4.437 1.00 61.10 C ATOM 696 CD2 LEU A 50 21.496 -4.952 5.871 1.00 30.35 C ATOM 0 H LEU A 50 23.364 -2.842 4.736 1.00 44.22 H new ATOM 0 HA LEU A 50 24.016 -5.576 4.763 1.00 24.22 H new ATOM 0 HB2 LEU A 50 22.096 -3.759 3.401 1.00 71.44 H new ATOM 0 HB3 LEU A 50 22.414 -5.271 2.573 1.00 71.44 H new ATOM 0 HG LEU A 50 20.413 -5.295 4.065 1.00 1.43 H new ATOM 0 HD11 LEU A 50 20.910 -7.481 5.084 1.00 61.10 H new ATOM 0 HD12 LEU A 50 21.531 -7.371 3.420 1.00 61.10 H new ATOM 0 HD13 LEU A 50 22.646 -7.215 4.797 1.00 61.10 H new ATOM 0 HD21 LEU A 50 20.768 -5.465 6.499 1.00 30.35 H new ATOM 0 HD22 LEU A 50 22.498 -5.119 6.266 1.00 30.35 H new ATOM 0 HD23 LEU A 50 21.282 -3.883 5.866 1.00 30.35 H new ATOM 708 N ARG A 51 25.805 -5.844 3.072 1.00 34.55 N ATOM 709 CA ARG A 51 26.790 -6.125 2.035 1.00 33.10 C ATOM 710 C ARG A 51 27.149 -7.608 2.013 1.00 0.14 C ATOM 711 O ARG A 51 26.663 -8.387 2.833 1.00 20.40 O ATOM 712 CB ARG A 51 28.050 -5.287 2.259 1.00 70.24 C ATOM 713 CG ARG A 51 28.594 -4.655 0.988 1.00 1.32 C ATOM 714 CD ARG A 51 27.630 -3.623 0.422 1.00 24.53 C ATOM 715 NE ARG A 51 28.328 -2.457 -0.112 1.00 24.12 N ATOM 716 CZ ARG A 51 27.751 -1.275 -0.294 1.00 52.14 C ATOM 717 NH1 ARG A 51 26.473 -1.103 0.013 1.00 34.30 N ATOM 718 NH2 ARG A 51 28.452 -0.261 -0.785 1.00 64.11 N ATOM 0 H ARG A 51 25.931 -6.382 3.930 1.00 34.55 H new ATOM 0 HA ARG A 51 26.353 -5.861 1.072 1.00 33.10 H new ATOM 0 HB2 ARG A 51 27.830 -4.500 2.981 1.00 70.24 H new ATOM 0 HB3 ARG A 51 28.822 -5.917 2.701 1.00 70.24 H new ATOM 0 HG2 ARG A 51 29.553 -4.182 1.197 1.00 1.32 H new ATOM 0 HG3 ARG A 51 28.777 -5.430 0.244 1.00 1.32 H new ATOM 0 HD2 ARG A 51 27.032 -4.080 -0.366 1.00 24.53 H new ATOM 0 HD3 ARG A 51 26.939 -3.306 1.203 1.00 24.53 H new ATOM 0 HE ARG A 51 29.313 -2.556 -0.359 1.00 24.12 H new ATOM 0 HH11 ARG A 51 25.930 -1.880 0.390 1.00 34.30 H new ATOM 0 HH12 ARG A 51 26.033 -0.194 -0.128 1.00 34.30 H new ATOM 0 HH21 ARG A 51 29.436 -0.389 -1.023 1.00 64.11 H new ATOM 0 HH22 ARG A 51 28.007 0.646 -0.924 1.00 64.11 H new ATOM 732 N VAL A 52 28.003 -7.991 1.069 1.00 1.14 N ATOM 733 CA VAL A 52 28.428 -9.380 0.941 1.00 41.31 C ATOM 734 C VAL A 52 29.020 -9.896 2.247 1.00 25.22 C ATOM 735 O VAL A 52 29.995 -9.347 2.759 1.00 12.13 O ATOM 736 CB VAL A 52 29.468 -9.547 -0.183 1.00 0.40 C ATOM 737 CG1 VAL A 52 28.829 -9.304 -1.542 1.00 63.20 C ATOM 738 CG2 VAL A 52 30.645 -8.608 0.037 1.00 20.31 C ATOM 0 H VAL A 52 28.414 -7.359 0.382 1.00 1.14 H new ATOM 0 HA VAL A 52 27.540 -9.961 0.694 1.00 41.31 H new ATOM 0 HB VAL A 52 29.840 -10.571 -0.161 1.00 0.40 H new ATOM 0 HG11 VAL A 52 29.579 -9.426 -2.324 1.00 63.20 H new ATOM 0 HG12 VAL A 52 28.022 -10.020 -1.698 1.00 63.20 H new ATOM 0 HG13 VAL A 52 28.428 -8.291 -1.580 1.00 63.20 H new ATOM 0 HG21 VAL A 52 31.370 -8.739 -0.766 1.00 20.31 H new ATOM 0 HG22 VAL A 52 30.292 -7.577 0.042 1.00 20.31 H new ATOM 0 HG23 VAL A 52 31.117 -8.834 0.993 1.00 20.31 H new ATOM 748 N GLY A 53 28.425 -10.958 2.782 1.00 13.11 N ATOM 749 CA GLY A 53 28.907 -11.532 4.025 1.00 42.25 C ATOM 750 C GLY A 53 27.976 -11.260 5.189 1.00 12.11 C ATOM 751 O GLY A 53 28.337 -11.478 6.346 1.00 72.34 O ATOM 0 H GLY A 53 27.617 -11.431 2.377 1.00 13.11 H new ATOM 0 HA2 GLY A 53 29.025 -12.609 3.902 1.00 42.25 H new ATOM 0 HA3 GLY A 53 29.893 -11.126 4.250 1.00 42.25 H new ATOM 755 N ASP A 54 26.775 -10.781 4.884 1.00 12.45 N ATOM 756 CA ASP A 54 25.789 -10.478 5.915 1.00 14.41 C ATOM 757 C ASP A 54 24.738 -11.580 6.003 1.00 61.31 C ATOM 758 O ASP A 54 24.168 -11.989 4.992 1.00 65.04 O ATOM 759 CB ASP A 54 25.114 -9.135 5.627 1.00 62.41 C ATOM 760 CG ASP A 54 25.957 -7.957 6.072 1.00 1.42 C ATOM 761 OD1 ASP A 54 27.201 -8.073 6.047 1.00 55.51 O ATOM 762 OD2 ASP A 54 25.373 -6.918 6.445 1.00 4.31 O ATOM 0 H ASP A 54 26.461 -10.594 3.932 1.00 12.45 H new ATOM 0 HA ASP A 54 26.308 -10.418 6.872 1.00 14.41 H new ATOM 0 HB2 ASP A 54 24.916 -9.053 4.558 1.00 62.41 H new ATOM 0 HB3 ASP A 54 24.150 -9.100 6.134 1.00 62.41 H new ATOM 767 N GLN A 55 24.488 -12.057 7.218 1.00 24.31 N ATOM 768 CA GLN A 55 23.508 -13.114 7.437 1.00 52.12 C ATOM 769 C GLN A 55 22.134 -12.527 7.743 1.00 0.35 C ATOM 770 O GLN A 55 21.919 -11.945 8.808 1.00 43.02 O ATOM 771 CB GLN A 55 23.954 -14.024 8.583 1.00 50.32 C ATOM 772 CG GLN A 55 25.275 -14.728 8.321 1.00 24.11 C ATOM 773 CD GLN A 55 25.365 -16.075 9.011 1.00 4.01 C ATOM 774 OE1 GLN A 55 25.977 -16.202 10.073 1.00 74.05 O ATOM 775 NE2 GLN A 55 24.755 -17.090 8.411 1.00 63.04 N ATOM 0 H GLN A 55 24.950 -11.728 8.066 1.00 24.31 H new ATOM 0 HA GLN A 55 23.436 -13.703 6.523 1.00 52.12 H new ATOM 0 HB2 GLN A 55 24.042 -13.431 9.494 1.00 50.32 H new ATOM 0 HB3 GLN A 55 23.182 -14.772 8.763 1.00 50.32 H new ATOM 0 HG2 GLN A 55 25.403 -14.865 7.247 1.00 24.11 H new ATOM 0 HG3 GLN A 55 26.094 -14.094 8.661 1.00 24.11 H new ATOM 0 HE21 GLN A 55 24.260 -16.940 7.532 1.00 63.04 H new ATOM 0 HE22 GLN A 55 24.782 -18.020 8.829 1.00 63.04 H new ATOM 784 N LEU A 56 21.207 -12.682 6.805 1.00 71.21 N ATOM 785 CA LEU A 56 19.853 -12.167 6.974 1.00 13.04 C ATOM 786 C LEU A 56 19.022 -13.098 7.852 1.00 52.41 C ATOM 787 O LEU A 56 18.543 -14.135 7.395 1.00 74.51 O ATOM 788 CB LEU A 56 19.178 -11.994 5.613 1.00 54.23 C ATOM 789 CG LEU A 56 18.429 -10.678 5.397 1.00 33.12 C ATOM 790 CD1 LEU A 56 17.242 -10.578 6.343 1.00 30.40 C ATOM 791 CD2 LEU A 56 19.365 -9.494 5.587 1.00 4.02 C ATOM 0 H LEU A 56 21.368 -13.161 5.919 1.00 71.21 H new ATOM 0 HA LEU A 56 19.919 -11.196 7.466 1.00 13.04 H new ATOM 0 HB2 LEU A 56 19.939 -12.087 4.838 1.00 54.23 H new ATOM 0 HB3 LEU A 56 18.476 -12.816 5.471 1.00 54.23 H new ATOM 0 HG LEU A 56 18.055 -10.659 4.373 1.00 33.12 H new ATOM 0 HD11 LEU A 56 16.721 -9.635 6.175 1.00 30.40 H new ATOM 0 HD12 LEU A 56 16.559 -11.408 6.159 1.00 30.40 H new ATOM 0 HD13 LEU A 56 17.594 -10.619 7.374 1.00 30.40 H new ATOM 0 HD21 LEU A 56 18.815 -8.566 5.429 1.00 4.02 H new ATOM 0 HD22 LEU A 56 19.769 -9.509 6.599 1.00 4.02 H new ATOM 0 HD23 LEU A 56 20.182 -9.557 4.869 1.00 4.02 H new ATOM 803 N VAL A 57 18.853 -12.718 9.115 1.00 62.13 N ATOM 804 CA VAL A 57 18.077 -13.517 10.056 1.00 42.41 C ATOM 805 C VAL A 57 16.581 -13.308 9.851 1.00 40.40 C ATOM 806 O VAL A 57 15.786 -14.232 10.023 1.00 54.53 O ATOM 807 CB VAL A 57 18.437 -13.173 11.514 1.00 65.45 C ATOM 808 CG1 VAL A 57 17.824 -14.186 12.468 1.00 20.41 C ATOM 809 CG2 VAL A 57 19.947 -13.110 11.688 1.00 23.30 C ATOM 0 H VAL A 57 19.243 -11.862 9.510 1.00 62.13 H new ATOM 0 HA VAL A 57 18.325 -14.561 9.865 1.00 42.41 H new ATOM 0 HB VAL A 57 18.025 -12.192 11.751 1.00 65.45 H new ATOM 0 HG11 VAL A 57 18.089 -13.927 13.493 1.00 20.41 H new ATOM 0 HG12 VAL A 57 16.739 -14.177 12.360 1.00 20.41 H new ATOM 0 HG13 VAL A 57 18.204 -15.181 12.235 1.00 20.41 H new ATOM 0 HG21 VAL A 57 20.184 -12.866 12.724 1.00 23.30 H new ATOM 0 HG22 VAL A 57 20.383 -14.076 11.434 1.00 23.30 H new ATOM 0 HG23 VAL A 57 20.357 -12.343 11.031 1.00 23.30 H new ATOM 819 N ARG A 58 16.205 -12.088 9.482 1.00 14.53 N ATOM 820 CA ARG A 58 14.803 -11.757 9.254 1.00 2.44 C ATOM 821 C ARG A 58 14.044 -11.666 10.575 1.00 21.20 C ATOM 822 O ARG A 58 13.591 -10.592 10.970 1.00 1.25 O ATOM 823 CB ARG A 58 14.151 -12.803 8.349 1.00 34.24 C ATOM 824 CG ARG A 58 12.933 -12.287 7.600 1.00 3.51 C ATOM 825 CD ARG A 58 11.681 -12.353 8.460 1.00 54.45 C ATOM 826 NE ARG A 58 11.429 -11.095 9.159 1.00 65.24 N ATOM 827 CZ ARG A 58 10.278 -10.802 9.752 1.00 11.51 C ATOM 828 NH1 ARG A 58 9.277 -11.671 9.732 1.00 41.15 N ATOM 829 NH2 ARG A 58 10.126 -9.636 10.368 1.00 31.23 N ATOM 0 H ARG A 58 16.851 -11.313 9.335 1.00 14.53 H new ATOM 0 HA ARG A 58 14.760 -10.785 8.763 1.00 2.44 H new ATOM 0 HB2 ARG A 58 14.888 -13.157 7.628 1.00 34.24 H new ATOM 0 HB3 ARG A 58 13.859 -13.662 8.953 1.00 34.24 H new ATOM 0 HG2 ARG A 58 13.106 -11.258 7.286 1.00 3.51 H new ATOM 0 HG3 ARG A 58 12.785 -12.875 6.694 1.00 3.51 H new ATOM 0 HD2 ARG A 58 10.823 -12.597 7.833 1.00 54.45 H new ATOM 0 HD3 ARG A 58 11.783 -13.158 9.188 1.00 54.45 H new ATOM 0 HE ARG A 58 12.179 -10.404 9.193 1.00 65.24 H new ATOM 0 HH11 ARG A 58 9.390 -12.568 9.260 1.00 41.15 H new ATOM 0 HH12 ARG A 58 8.394 -11.442 10.189 1.00 41.15 H new ATOM 0 HH21 ARG A 58 10.894 -8.965 10.386 1.00 31.23 H new ATOM 0 HH22 ARG A 58 9.241 -9.411 10.823 1.00 31.23 H new ATOM 843 N PHE A 59 13.909 -12.801 11.253 1.00 72.34 N ATOM 844 CA PHE A 59 13.203 -12.851 12.528 1.00 44.10 C ATOM 845 C PHE A 59 14.188 -12.886 13.693 1.00 1.31 C ATOM 846 O PHE A 59 15.285 -13.432 13.577 1.00 53.32 O ATOM 847 CB PHE A 59 12.289 -14.076 12.582 1.00 72.32 C ATOM 848 CG PHE A 59 11.696 -14.323 13.940 1.00 43.02 C ATOM 849 CD1 PHE A 59 10.633 -13.560 14.395 1.00 4.25 C ATOM 850 CD2 PHE A 59 12.202 -15.318 14.760 1.00 32.33 C ATOM 851 CE1 PHE A 59 10.087 -13.784 15.645 1.00 61.20 C ATOM 852 CE2 PHE A 59 11.659 -15.548 16.011 1.00 43.22 C ATOM 853 CZ PHE A 59 10.600 -14.780 16.453 1.00 33.21 C ATOM 0 H PHE A 59 14.279 -13.699 10.941 1.00 72.34 H new ATOM 0 HA PHE A 59 12.596 -11.950 12.614 1.00 44.10 H new ATOM 0 HB2 PHE A 59 11.482 -13.950 11.860 1.00 72.32 H new ATOM 0 HB3 PHE A 59 12.855 -14.956 12.276 1.00 72.32 H new ATOM 0 HD1 PHE A 59 10.226 -12.782 13.766 1.00 4.25 H new ATOM 0 HD2 PHE A 59 13.030 -15.921 14.419 1.00 32.33 H new ATOM 0 HE1 PHE A 59 9.260 -13.181 15.990 1.00 61.20 H new ATOM 0 HE2 PHE A 59 12.063 -16.327 16.641 1.00 43.22 H new ATOM 0 HZ PHE A 59 10.173 -14.958 17.429 1.00 33.21 H new ATOM 863 N ALA A 60 13.788 -12.298 14.816 1.00 71.00 N ATOM 864 CA ALA A 60 14.633 -12.263 16.003 1.00 42.51 C ATOM 865 C ALA A 60 14.667 -13.622 16.693 1.00 2.35 C ATOM 866 O ALA A 60 14.419 -13.725 17.894 1.00 73.31 O ATOM 867 CB ALA A 60 14.145 -11.191 16.966 1.00 4.24 C ATOM 0 H ALA A 60 12.884 -11.839 14.928 1.00 71.00 H new ATOM 0 HA ALA A 60 15.648 -12.019 15.690 1.00 42.51 H new ATOM 0 HB1 ALA A 60 14.785 -11.176 17.848 1.00 4.24 H new ATOM 0 HB2 ALA A 60 14.180 -10.218 16.476 1.00 4.24 H new ATOM 0 HB3 ALA A 60 13.120 -11.410 17.265 1.00 4.24 H new ATOM 873 N GLY A 61 14.976 -14.663 15.926 1.00 1.23 N ATOM 874 CA GLY A 61 15.036 -16.002 16.482 1.00 31.11 C ATOM 875 C GLY A 61 16.246 -16.777 15.999 1.00 1.35 C ATOM 876 O GLY A 61 16.431 -17.940 16.358 1.00 75.14 O ATOM 0 H GLY A 61 15.186 -14.603 14.930 1.00 1.23 H new ATOM 0 HA2 GLY A 61 15.059 -15.940 17.570 1.00 31.11 H new ATOM 0 HA3 GLY A 61 14.130 -16.545 16.213 1.00 31.11 H new ATOM 880 N TYR A 62 17.072 -16.132 15.183 1.00 2.33 N ATOM 881 CA TYR A 62 18.269 -16.769 14.647 1.00 21.02 C ATOM 882 C TYR A 62 17.903 -17.874 13.661 1.00 33.02 C ATOM 883 O TYR A 62 18.246 -19.040 13.860 1.00 35.02 O ATOM 884 CB TYR A 62 19.118 -17.344 15.782 1.00 1.13 C ATOM 885 CG TYR A 62 19.212 -16.436 16.988 1.00 73.40 C ATOM 886 CD1 TYR A 62 19.594 -15.107 16.853 1.00 34.13 C ATOM 887 CD2 TYR A 62 18.919 -16.908 18.262 1.00 42.13 C ATOM 888 CE1 TYR A 62 19.681 -14.274 17.952 1.00 22.30 C ATOM 889 CE2 TYR A 62 19.003 -16.082 19.366 1.00 54.02 C ATOM 890 CZ TYR A 62 19.384 -14.766 19.206 1.00 63.20 C ATOM 891 OH TYR A 62 19.470 -13.941 20.304 1.00 50.45 O ATOM 0 H TYR A 62 16.935 -15.168 14.878 1.00 2.33 H new ATOM 0 HA TYR A 62 18.847 -16.011 14.118 1.00 21.02 H new ATOM 0 HB2 TYR A 62 18.697 -18.301 16.090 1.00 1.13 H new ATOM 0 HB3 TYR A 62 20.122 -17.543 15.408 1.00 1.13 H new ATOM 0 HD1 TYR A 62 19.827 -14.718 15.873 1.00 34.13 H new ATOM 0 HD2 TYR A 62 18.621 -17.938 18.391 1.00 42.13 H new ATOM 0 HE1 TYR A 62 19.980 -13.243 17.830 1.00 22.30 H new ATOM 0 HE2 TYR A 62 18.772 -16.465 20.349 1.00 54.02 H new ATOM 0 HH TYR A 62 19.227 -14.443 21.110 1.00 50.45 H new ATOM 901 N THR A 63 17.203 -17.499 12.595 1.00 42.43 N ATOM 902 CA THR A 63 16.789 -18.456 11.577 1.00 50.33 C ATOM 903 C THR A 63 15.957 -17.780 10.493 1.00 53.10 C ATOM 904 O THR A 63 15.153 -16.891 10.777 1.00 61.43 O ATOM 905 CB THR A 63 15.974 -19.610 12.189 1.00 15.14 C ATOM 906 OG1 THR A 63 15.345 -20.371 11.152 1.00 44.23 O ATOM 907 CG2 THR A 63 14.917 -19.078 13.146 1.00 52.13 C ATOM 0 H THR A 63 16.911 -16.539 12.414 1.00 42.43 H new ATOM 0 HA THR A 63 17.699 -18.860 11.134 1.00 50.33 H new ATOM 0 HB THR A 63 16.657 -20.251 12.746 1.00 15.14 H new ATOM 0 HG1 THR A 63 14.830 -21.104 11.550 1.00 44.23 H new ATOM 0 HG21 THR A 63 14.354 -19.911 13.566 1.00 52.13 H new ATOM 0 HG22 THR A 63 15.401 -18.525 13.951 1.00 52.13 H new ATOM 0 HG23 THR A 63 14.238 -18.416 12.607 1.00 52.13 H new ATOM 915 N VAL A 64 16.153 -18.207 9.250 1.00 45.14 N ATOM 916 CA VAL A 64 15.419 -17.644 8.123 1.00 43.13 C ATOM 917 C VAL A 64 14.956 -18.738 7.167 1.00 44.31 C ATOM 918 O VAL A 64 15.547 -19.817 7.107 1.00 15.02 O ATOM 919 CB VAL A 64 16.277 -16.627 7.346 1.00 73.43 C ATOM 920 CG1 VAL A 64 17.402 -17.334 6.605 1.00 51.52 C ATOM 921 CG2 VAL A 64 15.412 -15.828 6.382 1.00 3.04 C ATOM 0 H VAL A 64 16.814 -18.941 8.998 1.00 45.14 H new ATOM 0 HA VAL A 64 14.548 -17.134 8.535 1.00 43.13 H new ATOM 0 HB VAL A 64 16.723 -15.933 8.059 1.00 73.43 H new ATOM 0 HG11 VAL A 64 17.997 -16.600 6.062 1.00 51.52 H new ATOM 0 HG12 VAL A 64 18.036 -17.858 7.320 1.00 51.52 H new ATOM 0 HG13 VAL A 64 16.980 -18.051 5.901 1.00 51.52 H new ATOM 0 HG21 VAL A 64 16.034 -15.114 5.841 1.00 3.04 H new ATOM 0 HG22 VAL A 64 14.937 -16.505 5.673 1.00 3.04 H new ATOM 0 HG23 VAL A 64 14.645 -15.291 6.941 1.00 3.04 H new ATOM 931 N THR A 65 13.895 -18.452 6.418 1.00 4.04 N ATOM 932 CA THR A 65 13.352 -19.411 5.465 1.00 30.00 C ATOM 933 C THR A 65 14.096 -19.347 4.136 1.00 11.10 C ATOM 934 O THR A 65 14.949 -20.187 3.851 1.00 13.12 O ATOM 935 CB THR A 65 11.852 -19.165 5.213 1.00 4.23 C ATOM 936 OG1 THR A 65 11.553 -17.772 5.361 1.00 30.41 O ATOM 937 CG2 THR A 65 11.001 -19.977 6.178 1.00 43.11 C ATOM 0 H THR A 65 13.395 -17.564 6.454 1.00 4.04 H new ATOM 0 HA THR A 65 13.482 -20.400 5.904 1.00 30.00 H new ATOM 0 HB THR A 65 11.620 -19.480 4.196 1.00 4.23 H new ATOM 0 HG1 THR A 65 11.436 -17.562 6.311 1.00 30.41 H new ATOM 0 HG21 THR A 65 9.946 -19.787 5.981 1.00 43.11 H new ATOM 0 HG22 THR A 65 11.210 -21.038 6.043 1.00 43.11 H new ATOM 0 HG23 THR A 65 11.237 -19.688 7.202 1.00 43.11 H new ATOM 945 N GLU A 66 13.767 -18.345 3.327 1.00 44.51 N ATOM 946 CA GLU A 66 14.406 -18.172 2.027 1.00 32.23 C ATOM 947 C GLU A 66 14.312 -16.722 1.563 1.00 54.31 C ATOM 948 O GLU A 66 13.785 -15.863 2.273 1.00 62.54 O ATOM 949 CB GLU A 66 13.760 -19.094 0.991 1.00 60.12 C ATOM 950 CG GLU A 66 12.346 -18.688 0.612 1.00 34.04 C ATOM 951 CD GLU A 66 11.327 -19.769 0.917 1.00 30.22 C ATOM 952 OE1 GLU A 66 11.266 -20.759 0.158 1.00 51.40 O ATOM 953 OE2 GLU A 66 10.591 -19.625 1.916 1.00 71.41 O ATOM 0 H GLU A 66 13.063 -17.641 3.548 1.00 44.51 H new ATOM 0 HA GLU A 66 15.459 -18.434 2.130 1.00 32.23 H new ATOM 0 HB2 GLU A 66 14.378 -19.107 0.093 1.00 60.12 H new ATOM 0 HB3 GLU A 66 13.744 -20.111 1.382 1.00 60.12 H new ATOM 0 HG2 GLU A 66 12.077 -17.778 1.149 1.00 34.04 H new ATOM 0 HG3 GLU A 66 12.312 -18.452 -0.452 1.00 34.04 H new ATOM 960 N LEU A 67 14.826 -16.455 0.367 1.00 34.03 N ATOM 961 CA LEU A 67 14.801 -15.108 -0.193 1.00 74.42 C ATOM 962 C LEU A 67 13.371 -14.669 -0.490 1.00 55.31 C ATOM 963 O LEU A 67 13.064 -13.477 -0.488 1.00 1.11 O ATOM 964 CB LEU A 67 15.640 -15.051 -1.471 1.00 14.00 C ATOM 965 CG LEU A 67 15.289 -16.076 -2.551 1.00 4.44 C ATOM 966 CD1 LEU A 67 14.117 -15.589 -3.388 1.00 32.22 C ATOM 967 CD2 LEU A 67 16.497 -16.355 -3.433 1.00 5.13 C ATOM 0 H LEU A 67 15.265 -17.153 -0.233 1.00 34.03 H new ATOM 0 HA LEU A 67 15.225 -14.426 0.544 1.00 74.42 H new ATOM 0 HB2 LEU A 67 15.545 -14.054 -1.900 1.00 14.00 H new ATOM 0 HB3 LEU A 67 16.688 -15.183 -1.200 1.00 14.00 H new ATOM 0 HG LEU A 67 14.998 -17.006 -2.062 1.00 4.44 H new ATOM 0 HD11 LEU A 67 13.882 -16.331 -4.151 1.00 32.22 H new ATOM 0 HD12 LEU A 67 13.249 -15.440 -2.746 1.00 32.22 H new ATOM 0 HD13 LEU A 67 14.379 -14.646 -3.868 1.00 32.22 H new ATOM 0 HD21 LEU A 67 16.229 -17.086 -4.196 1.00 5.13 H new ATOM 0 HD22 LEU A 67 16.818 -15.431 -3.913 1.00 5.13 H new ATOM 0 HD23 LEU A 67 17.310 -16.748 -2.823 1.00 5.13 H new ATOM 979 N ALA A 68 12.499 -15.639 -0.743 1.00 71.53 N ATOM 980 CA ALA A 68 11.100 -15.353 -1.038 1.00 4.24 C ATOM 981 C ALA A 68 10.454 -14.557 0.091 1.00 32.22 C ATOM 982 O ALA A 68 9.679 -13.633 -0.153 1.00 3.40 O ATOM 983 CB ALA A 68 10.336 -16.646 -1.279 1.00 62.15 C ATOM 0 H ALA A 68 12.737 -16.631 -0.750 1.00 71.53 H new ATOM 0 HA ALA A 68 11.061 -14.748 -1.944 1.00 4.24 H new ATOM 0 HB1 ALA A 68 9.293 -16.417 -1.498 1.00 62.15 H new ATOM 0 HB2 ALA A 68 10.776 -17.177 -2.123 1.00 62.15 H new ATOM 0 HB3 ALA A 68 10.391 -17.272 -0.389 1.00 62.15 H new ATOM 989 N ALA A 69 10.776 -14.924 1.327 1.00 4.53 N ATOM 990 CA ALA A 69 10.228 -14.243 2.494 1.00 52.24 C ATOM 991 C ALA A 69 10.771 -12.822 2.606 1.00 20.43 C ATOM 992 O ALA A 69 10.030 -11.886 2.906 1.00 5.24 O ATOM 993 CB ALA A 69 10.537 -15.030 3.758 1.00 21.13 C ATOM 0 H ALA A 69 11.414 -15.689 1.546 1.00 4.53 H new ATOM 0 HA ALA A 69 9.146 -14.182 2.373 1.00 52.24 H new ATOM 0 HB1 ALA A 69 10.122 -14.510 4.621 1.00 21.13 H new ATOM 0 HB2 ALA A 69 10.094 -16.023 3.686 1.00 21.13 H new ATOM 0 HB3 ALA A 69 11.617 -15.122 3.875 1.00 21.13 H new ATOM 999 N PHE A 70 12.069 -12.669 2.364 1.00 32.35 N ATOM 1000 CA PHE A 70 12.712 -11.363 2.441 1.00 53.34 C ATOM 1001 C PHE A 70 12.245 -10.460 1.302 1.00 3.12 C ATOM 1002 O PHE A 70 12.232 -9.237 1.432 1.00 42.43 O ATOM 1003 CB PHE A 70 14.233 -11.516 2.394 1.00 4.13 C ATOM 1004 CG PHE A 70 14.973 -10.233 2.644 1.00 50.31 C ATOM 1005 CD1 PHE A 70 15.081 -9.718 3.926 1.00 55.44 C ATOM 1006 CD2 PHE A 70 15.560 -9.541 1.596 1.00 22.25 C ATOM 1007 CE1 PHE A 70 15.761 -8.537 4.159 1.00 73.12 C ATOM 1008 CE2 PHE A 70 16.242 -8.361 1.824 1.00 50.34 C ATOM 1009 CZ PHE A 70 16.341 -7.857 3.106 1.00 23.31 C ATOM 0 H PHE A 70 12.696 -13.434 2.113 1.00 32.35 H new ATOM 0 HA PHE A 70 12.430 -10.902 3.387 1.00 53.34 H new ATOM 0 HB2 PHE A 70 14.539 -12.253 3.136 1.00 4.13 H new ATOM 0 HB3 PHE A 70 14.521 -11.908 1.418 1.00 4.13 H new ATOM 0 HD1 PHE A 70 14.629 -10.245 4.753 1.00 55.44 H new ATOM 0 HD2 PHE A 70 15.483 -9.928 0.591 1.00 22.25 H new ATOM 0 HE1 PHE A 70 15.839 -8.147 5.163 1.00 73.12 H new ATOM 0 HE2 PHE A 70 16.698 -7.833 1.000 1.00 50.34 H new ATOM 0 HZ PHE A 70 16.871 -6.933 3.285 1.00 23.31 H new ATOM 1019 N ASN A 71 11.864 -11.074 0.187 1.00 54.42 N ATOM 1020 CA ASN A 71 11.397 -10.326 -0.976 1.00 25.24 C ATOM 1021 C ASN A 71 10.007 -9.749 -0.729 1.00 72.13 C ATOM 1022 O ASN A 71 9.744 -8.583 -1.026 1.00 62.01 O ATOM 1023 CB ASN A 71 11.376 -11.227 -2.212 1.00 44.12 C ATOM 1024 CG ASN A 71 11.198 -10.441 -3.497 1.00 35.22 C ATOM 1025 OD1 ASN A 71 11.927 -9.485 -3.759 1.00 41.13 O ATOM 1026 ND2 ASN A 71 10.223 -10.842 -4.305 1.00 31.23 N ATOM 0 H ASN A 71 11.869 -12.086 0.063 1.00 54.42 H new ATOM 0 HA ASN A 71 12.088 -9.501 -1.148 1.00 25.24 H new ATOM 0 HB2 ASN A 71 12.306 -11.793 -2.261 1.00 44.12 H new ATOM 0 HB3 ASN A 71 10.567 -11.951 -2.117 1.00 44.12 H new ATOM 0 HD21 ASN A 71 10.055 -10.352 -5.183 1.00 31.23 H new ATOM 0 HD22 ASN A 71 9.643 -11.640 -4.047 1.00 31.23 H new ATOM 1033 N THR A 72 9.118 -10.573 -0.184 1.00 31.44 N ATOM 1034 CA THR A 72 7.754 -10.146 0.103 1.00 62.25 C ATOM 1035 C THR A 72 7.725 -9.118 1.228 1.00 73.15 C ATOM 1036 O THR A 72 6.907 -8.198 1.220 1.00 40.21 O ATOM 1037 CB THR A 72 6.861 -11.340 0.490 1.00 61.02 C ATOM 1038 OG1 THR A 72 5.548 -10.880 0.829 1.00 41.14 O ATOM 1039 CG2 THR A 72 7.456 -12.102 1.665 1.00 72.05 C ATOM 0 H THR A 72 9.318 -11.541 0.068 1.00 31.44 H new ATOM 0 HA THR A 72 7.366 -9.693 -0.809 1.00 62.25 H new ATOM 0 HB THR A 72 6.800 -12.013 -0.366 1.00 61.02 H new ATOM 0 HG1 THR A 72 4.986 -11.645 1.072 1.00 41.14 H new ATOM 0 HG21 THR A 72 6.808 -12.941 1.920 1.00 72.05 H new ATOM 0 HG22 THR A 72 8.443 -12.476 1.394 1.00 72.05 H new ATOM 0 HG23 THR A 72 7.543 -11.436 2.524 1.00 72.05 H new ATOM 1047 N VAL A 73 8.622 -9.280 2.194 1.00 5.35 N ATOM 1048 CA VAL A 73 8.700 -8.364 3.326 1.00 4.13 C ATOM 1049 C VAL A 73 9.204 -6.993 2.890 1.00 40.30 C ATOM 1050 O VAL A 73 8.608 -5.967 3.219 1.00 42.10 O ATOM 1051 CB VAL A 73 9.626 -8.912 4.429 1.00 51.42 C ATOM 1052 CG1 VAL A 73 9.843 -7.866 5.512 1.00 33.34 C ATOM 1053 CG2 VAL A 73 9.052 -10.191 5.018 1.00 24.42 C ATOM 0 H VAL A 73 9.305 -10.037 2.216 1.00 5.35 H new ATOM 0 HA VAL A 73 7.690 -8.267 3.724 1.00 4.13 H new ATOM 0 HB VAL A 73 10.594 -9.146 3.985 1.00 51.42 H new ATOM 0 HG11 VAL A 73 10.499 -8.271 6.282 1.00 33.34 H new ATOM 0 HG12 VAL A 73 10.301 -6.979 5.074 1.00 33.34 H new ATOM 0 HG13 VAL A 73 8.884 -7.598 5.956 1.00 33.34 H new ATOM 0 HG21 VAL A 73 9.718 -10.565 5.795 1.00 24.42 H new ATOM 0 HG22 VAL A 73 8.072 -9.986 5.448 1.00 24.42 H new ATOM 0 HG23 VAL A 73 8.954 -10.941 4.233 1.00 24.42 H new ATOM 1063 N VAL A 74 10.306 -6.982 2.146 1.00 33.13 N ATOM 1064 CA VAL A 74 10.890 -5.737 1.663 1.00 53.34 C ATOM 1065 C VAL A 74 9.991 -5.076 0.623 1.00 2.45 C ATOM 1066 O VAL A 74 9.813 -3.858 0.627 1.00 34.00 O ATOM 1067 CB VAL A 74 12.282 -5.972 1.047 1.00 52.52 C ATOM 1068 CG1 VAL A 74 12.852 -4.670 0.504 1.00 3.04 C ATOM 1069 CG2 VAL A 74 13.221 -6.588 2.073 1.00 74.24 C ATOM 0 H VAL A 74 10.812 -7.822 1.865 1.00 33.13 H new ATOM 0 HA VAL A 74 10.989 -5.078 2.525 1.00 53.34 H new ATOM 0 HB VAL A 74 12.180 -6.670 0.216 1.00 52.52 H new ATOM 0 HG11 VAL A 74 13.836 -4.855 0.073 1.00 3.04 H new ATOM 0 HG12 VAL A 74 12.188 -4.274 -0.264 1.00 3.04 H new ATOM 0 HG13 VAL A 74 12.942 -3.946 1.314 1.00 3.04 H new ATOM 0 HG21 VAL A 74 14.200 -6.747 1.621 1.00 74.24 H new ATOM 0 HG22 VAL A 74 13.320 -5.916 2.925 1.00 74.24 H new ATOM 0 HG23 VAL A 74 12.817 -7.543 2.409 1.00 74.24 H new ATOM 1079 N ALA A 75 9.427 -5.887 -0.265 1.00 63.02 N ATOM 1080 CA ALA A 75 8.545 -5.381 -1.309 1.00 72.43 C ATOM 1081 C ALA A 75 7.275 -4.784 -0.713 1.00 74.40 C ATOM 1082 O ALA A 75 6.826 -3.715 -1.127 1.00 61.32 O ATOM 1083 CB ALA A 75 8.198 -6.491 -2.291 1.00 24.22 C ATOM 0 H ALA A 75 9.565 -6.897 -0.282 1.00 63.02 H new ATOM 0 HA ALA A 75 9.071 -4.590 -1.843 1.00 72.43 H new ATOM 0 HB1 ALA A 75 7.539 -6.099 -3.065 1.00 24.22 H new ATOM 0 HB2 ALA A 75 9.111 -6.870 -2.750 1.00 24.22 H new ATOM 0 HB3 ALA A 75 7.695 -7.301 -1.762 1.00 24.22 H new ATOM 1089 N ARG A 76 6.699 -5.482 0.261 1.00 60.12 N ATOM 1090 CA ARG A 76 5.479 -5.021 0.912 1.00 30.45 C ATOM 1091 C ARG A 76 5.709 -3.686 1.615 1.00 74.32 C ATOM 1092 O ARG A 76 4.987 -2.717 1.380 1.00 55.23 O ATOM 1093 CB ARG A 76 4.989 -6.063 1.921 1.00 45.44 C ATOM 1094 CG ARG A 76 4.028 -7.079 1.328 1.00 75.22 C ATOM 1095 CD ARG A 76 4.338 -7.353 -0.135 1.00 42.24 C ATOM 1096 NE ARG A 76 3.696 -8.575 -0.612 1.00 51.31 N ATOM 1097 CZ ARG A 76 3.527 -8.863 -1.898 1.00 4.11 C ATOM 1098 NH1 ARG A 76 3.952 -8.021 -2.830 1.00 70.54 N ATOM 1099 NH2 ARG A 76 2.934 -9.995 -2.253 1.00 34.10 N ATOM 0 H ARG A 76 7.058 -6.368 0.616 1.00 60.12 H new ATOM 0 HA ARG A 76 4.718 -4.882 0.144 1.00 30.45 H new ATOM 0 HB2 ARG A 76 5.850 -6.588 2.335 1.00 45.44 H new ATOM 0 HB3 ARG A 76 4.499 -5.552 2.749 1.00 45.44 H new ATOM 0 HG2 ARG A 76 4.086 -8.009 1.893 1.00 75.22 H new ATOM 0 HG3 ARG A 76 3.006 -6.712 1.422 1.00 75.22 H new ATOM 0 HD2 ARG A 76 4.006 -6.509 -0.740 1.00 42.24 H new ATOM 0 HD3 ARG A 76 5.417 -7.435 -0.268 1.00 42.24 H new ATOM 0 HE ARG A 76 3.359 -9.244 0.080 1.00 51.31 H new ATOM 0 HH11 ARG A 76 4.410 -7.150 -2.560 1.00 70.54 H new ATOM 0 HH12 ARG A 76 3.821 -8.244 -3.817 1.00 70.54 H new ATOM 0 HH21 ARG A 76 2.607 -10.645 -1.538 1.00 34.10 H new ATOM 0 HH22 ARG A 76 2.805 -10.215 -3.241 1.00 34.10 H new ATOM 1113 N HIS A 77 6.718 -3.644 2.478 1.00 4.33 N ATOM 1114 CA HIS A 77 7.043 -2.428 3.215 1.00 4.41 C ATOM 1115 C HIS A 77 8.012 -1.555 2.423 1.00 52.43 C ATOM 1116 O HIS A 77 9.173 -1.915 2.229 1.00 32.33 O ATOM 1117 CB HIS A 77 7.649 -2.776 4.575 1.00 31.50 C ATOM 1118 CG HIS A 77 7.081 -4.023 5.182 1.00 41.44 C ATOM 1119 ND1 HIS A 77 5.734 -4.315 5.178 1.00 75.02 N ATOM 1120 CD2 HIS A 77 7.687 -5.056 5.812 1.00 10.10 C ATOM 1121 CE1 HIS A 77 5.535 -5.473 5.781 1.00 31.32 C ATOM 1122 NE2 HIS A 77 6.705 -5.944 6.175 1.00 15.00 N ATOM 0 H HIS A 77 7.325 -4.437 2.684 1.00 4.33 H new ATOM 0 HA HIS A 77 6.120 -1.869 3.369 1.00 4.41 H new ATOM 0 HB2 HIS A 77 8.727 -2.894 4.464 1.00 31.50 H new ATOM 0 HB3 HIS A 77 7.488 -1.943 5.259 1.00 31.50 H new ATOM 0 HD2 HIS A 77 8.746 -5.162 5.995 1.00 10.10 H new ATOM 0 HE1 HIS A 77 4.579 -5.953 5.927 1.00 31.32 H new ATOM 0 HE2 HIS A 77 6.854 -6.824 6.669 1.00 15.00 H new ATOM 1130 N VAL A 78 7.526 -0.405 1.966 1.00 41.24 N ATOM 1131 CA VAL A 78 8.348 0.520 1.194 1.00 24.24 C ATOM 1132 C VAL A 78 8.093 1.963 1.614 1.00 42.13 C ATOM 1133 O VAL A 78 7.990 2.856 0.772 1.00 34.31 O ATOM 1134 CB VAL A 78 8.083 0.381 -0.316 1.00 53.04 C ATOM 1135 CG1 VAL A 78 9.187 1.055 -1.117 1.00 15.00 C ATOM 1136 CG2 VAL A 78 7.952 -1.085 -0.702 1.00 4.24 C ATOM 0 H VAL A 78 6.567 -0.092 2.117 1.00 41.24 H new ATOM 0 HA VAL A 78 9.388 0.264 1.397 1.00 24.24 H new ATOM 0 HB VAL A 78 7.142 0.880 -0.549 1.00 53.04 H new ATOM 0 HG11 VAL A 78 8.982 0.946 -2.182 1.00 15.00 H new ATOM 0 HG12 VAL A 78 9.227 2.114 -0.862 1.00 15.00 H new ATOM 0 HG13 VAL A 78 10.144 0.588 -0.882 1.00 15.00 H new ATOM 0 HG21 VAL A 78 7.765 -1.164 -1.773 1.00 4.24 H new ATOM 0 HG22 VAL A 78 8.875 -1.610 -0.455 1.00 4.24 H new ATOM 0 HG23 VAL A 78 7.122 -1.533 -0.155 1.00 4.24 H new ATOM 1146 N ARG A 79 7.993 2.185 2.920 1.00 3.12 N ATOM 1147 CA ARG A 79 7.749 3.521 3.452 1.00 64.42 C ATOM 1148 C ARG A 79 9.023 4.361 3.416 1.00 74.13 C ATOM 1149 O ARG A 79 10.137 3.842 3.348 1.00 72.44 O ATOM 1150 CB ARG A 79 7.223 3.434 4.886 1.00 65.33 C ATOM 1151 CG ARG A 79 5.711 3.543 4.987 1.00 31.03 C ATOM 1152 CD ARG A 79 5.043 2.186 4.834 1.00 73.35 C ATOM 1153 NE ARG A 79 4.079 1.926 5.900 1.00 52.24 N ATOM 1154 CZ ARG A 79 3.382 0.800 6.002 1.00 12.01 C ATOM 1155 NH1 ARG A 79 3.541 -0.166 5.108 1.00 3.10 N ATOM 1156 NH2 ARG A 79 2.524 0.638 7.001 1.00 15.10 N ATOM 0 H ARG A 79 8.077 1.457 3.630 1.00 3.12 H new ATOM 0 HA ARG A 79 6.998 4.003 2.826 1.00 64.42 H new ATOM 0 HB2 ARG A 79 7.541 2.488 5.324 1.00 65.33 H new ATOM 0 HB3 ARG A 79 7.677 4.228 5.479 1.00 65.33 H new ATOM 0 HG2 ARG A 79 5.440 3.977 5.950 1.00 31.03 H new ATOM 0 HG3 ARG A 79 5.342 4.220 4.217 1.00 31.03 H new ATOM 0 HD2 ARG A 79 4.538 2.137 3.869 1.00 73.35 H new ATOM 0 HD3 ARG A 79 5.804 1.405 4.835 1.00 73.35 H new ATOM 0 HE ARG A 79 3.933 2.649 6.605 1.00 52.24 H new ATOM 0 HH11 ARG A 79 4.200 -0.046 4.339 1.00 3.10 H new ATOM 0 HH12 ARG A 79 3.004 -1.029 5.189 1.00 3.10 H new ATOM 0 HH21 ARG A 79 2.399 1.378 7.691 1.00 15.10 H new ATOM 0 HH22 ARG A 79 1.989 -0.227 7.079 1.00 15.10 H new ATOM 1170 N PRO A 80 8.855 5.691 3.462 1.00 65.01 N ATOM 1171 CA PRO A 80 9.980 6.631 3.436 1.00 53.43 C ATOM 1172 C PRO A 80 10.799 6.591 4.721 1.00 0.31 C ATOM 1173 O PRO A 80 10.287 6.876 5.804 1.00 62.02 O ATOM 1174 CB PRO A 80 9.299 7.993 3.278 1.00 41.44 C ATOM 1175 CG PRO A 80 7.935 7.803 3.844 1.00 14.13 C ATOM 1176 CD PRO A 80 7.556 6.379 3.544 1.00 42.23 C ATOM 0 HA PRO A 80 10.688 6.398 2.641 1.00 53.43 H new ATOM 0 HB2 PRO A 80 9.844 8.772 3.811 1.00 41.44 H new ATOM 0 HB3 PRO A 80 9.255 8.294 2.231 1.00 41.44 H new ATOM 0 HG2 PRO A 80 7.929 7.990 4.918 1.00 14.13 H new ATOM 0 HG3 PRO A 80 7.226 8.498 3.395 1.00 14.13 H new ATOM 0 HD2 PRO A 80 6.926 5.957 4.327 1.00 42.23 H new ATOM 0 HD3 PRO A 80 6.999 6.299 2.610 1.00 42.23 H new ATOM 1184 N SER A 81 12.074 6.237 4.594 1.00 33.31 N ATOM 1185 CA SER A 81 12.963 6.156 5.747 1.00 43.33 C ATOM 1186 C SER A 81 12.349 5.298 6.849 1.00 54.54 C ATOM 1187 O SER A 81 12.241 5.728 7.997 1.00 74.51 O ATOM 1188 CB SER A 81 13.265 7.557 6.284 1.00 72.25 C ATOM 1189 OG SER A 81 14.367 7.535 7.174 1.00 41.31 O ATOM 0 H SER A 81 12.514 6.002 3.704 1.00 33.31 H new ATOM 0 HA SER A 81 13.894 5.689 5.424 1.00 43.33 H new ATOM 0 HB2 SER A 81 13.478 8.230 5.454 1.00 72.25 H new ATOM 0 HB3 SER A 81 12.387 7.950 6.797 1.00 72.25 H new ATOM 0 HG SER A 81 14.161 6.953 7.935 1.00 41.31 H new ATOM 1195 N ALA A 82 11.947 4.084 6.489 1.00 22.53 N ATOM 1196 CA ALA A 82 11.345 3.164 7.447 1.00 61.25 C ATOM 1197 C ALA A 82 12.412 2.463 8.281 1.00 43.34 C ATOM 1198 O ALA A 82 13.248 1.732 7.749 1.00 2.44 O ATOM 1199 CB ALA A 82 10.481 2.141 6.724 1.00 64.32 C ATOM 0 H ALA A 82 12.027 3.714 5.542 1.00 22.53 H new ATOM 0 HA ALA A 82 10.716 3.743 8.123 1.00 61.25 H new ATOM 0 HB1 ALA A 82 10.038 1.460 7.451 1.00 64.32 H new ATOM 0 HB2 ALA A 82 9.690 2.654 6.178 1.00 64.32 H new ATOM 0 HB3 ALA A 82 11.096 1.575 6.025 1.00 64.32 H new ATOM 1205 N SER A 83 12.378 2.692 9.590 1.00 63.14 N ATOM 1206 CA SER A 83 13.346 2.086 10.497 1.00 71.02 C ATOM 1207 C SER A 83 12.804 0.784 11.078 1.00 32.23 C ATOM 1208 O SER A 83 12.071 0.791 12.068 1.00 2.00 O ATOM 1209 CB SER A 83 13.694 3.056 11.627 1.00 43.40 C ATOM 1210 OG SER A 83 14.690 3.978 11.219 1.00 43.12 O ATOM 0 H SER A 83 11.691 3.292 10.046 1.00 63.14 H new ATOM 0 HA SER A 83 14.249 1.862 9.929 1.00 71.02 H new ATOM 0 HB2 SER A 83 12.799 3.596 11.936 1.00 43.40 H new ATOM 0 HB3 SER A 83 14.045 2.497 12.495 1.00 43.40 H new ATOM 0 HG SER A 83 14.894 4.588 11.958 1.00 43.12 H new ATOM 1216 N ILE A 84 13.169 -0.332 10.456 1.00 4.13 N ATOM 1217 CA ILE A 84 12.721 -1.642 10.912 1.00 42.11 C ATOM 1218 C ILE A 84 13.865 -2.422 11.551 1.00 32.50 C ATOM 1219 O ILE A 84 14.965 -2.518 11.007 1.00 51.44 O ATOM 1220 CB ILE A 84 12.134 -2.470 9.754 1.00 35.10 C ATOM 1221 CG1 ILE A 84 11.573 -3.794 10.278 1.00 15.41 C ATOM 1222 CG2 ILE A 84 13.193 -2.721 8.691 1.00 20.35 C ATOM 1223 CD1 ILE A 84 11.016 -4.687 9.191 1.00 5.23 C ATOM 0 H ILE A 84 13.774 -0.355 9.635 1.00 4.13 H new ATOM 0 HA ILE A 84 11.943 -1.469 11.655 1.00 42.11 H new ATOM 0 HB ILE A 84 11.319 -1.906 9.300 1.00 35.10 H new ATOM 0 HG12 ILE A 84 12.361 -4.329 10.808 1.00 15.41 H new ATOM 0 HG13 ILE A 84 10.787 -3.584 11.003 1.00 15.41 H new ATOM 0 HG21 ILE A 84 12.762 -3.307 7.880 1.00 20.35 H new ATOM 0 HG22 ILE A 84 13.549 -1.768 8.300 1.00 20.35 H new ATOM 0 HG23 ILE A 84 14.027 -3.268 9.131 1.00 20.35 H new ATOM 0 HD11 ILE A 84 10.636 -5.607 9.635 1.00 5.23 H new ATOM 0 HD12 ILE A 84 10.206 -4.171 8.676 1.00 5.23 H new ATOM 0 HD13 ILE A 84 11.804 -4.927 8.478 1.00 5.23 H new ATOM 1235 N PRO A 85 13.601 -2.997 12.734 1.00 55.01 N ATOM 1236 CA PRO A 85 14.594 -3.782 13.472 1.00 3.03 C ATOM 1237 C PRO A 85 14.910 -5.108 12.788 1.00 3.33 C ATOM 1238 O PRO A 85 14.017 -5.918 12.540 1.00 24.12 O ATOM 1239 CB PRO A 85 13.920 -4.025 14.825 1.00 62.41 C ATOM 1240 CG PRO A 85 12.460 -3.939 14.542 1.00 62.15 C ATOM 1241 CD PRO A 85 12.311 -2.925 13.441 1.00 1.14 C ATOM 0 HA PRO A 85 15.551 -3.265 13.544 1.00 3.03 H new ATOM 0 HB2 PRO A 85 14.188 -5.000 15.231 1.00 62.41 H new ATOM 0 HB3 PRO A 85 14.226 -3.279 15.559 1.00 62.41 H new ATOM 0 HG2 PRO A 85 12.064 -4.908 14.237 1.00 62.15 H new ATOM 0 HG3 PRO A 85 11.907 -3.634 15.431 1.00 62.15 H new ATOM 0 HD2 PRO A 85 11.477 -3.167 12.782 1.00 1.14 H new ATOM 0 HD3 PRO A 85 12.125 -1.927 13.837 1.00 1.14 H new ATOM 1249 N VAL A 86 16.187 -5.323 12.486 1.00 13.10 N ATOM 1250 CA VAL A 86 16.621 -6.552 11.832 1.00 52.40 C ATOM 1251 C VAL A 86 17.820 -7.161 12.548 1.00 25.34 C ATOM 1252 O VAL A 86 18.736 -6.451 12.964 1.00 12.15 O ATOM 1253 CB VAL A 86 16.990 -6.302 10.357 1.00 35.44 C ATOM 1254 CG1 VAL A 86 17.464 -7.590 9.701 1.00 43.43 C ATOM 1255 CG2 VAL A 86 15.805 -5.715 9.604 1.00 23.34 C ATOM 0 H VAL A 86 16.938 -4.662 12.684 1.00 13.10 H new ATOM 0 HA VAL A 86 15.783 -7.248 11.877 1.00 52.40 H new ATOM 0 HB VAL A 86 17.807 -5.581 10.321 1.00 35.44 H new ATOM 0 HG11 VAL A 86 17.720 -7.395 8.660 1.00 43.43 H new ATOM 0 HG12 VAL A 86 18.342 -7.964 10.227 1.00 43.43 H new ATOM 0 HG13 VAL A 86 16.669 -8.335 9.746 1.00 43.43 H new ATOM 0 HG21 VAL A 86 16.083 -5.545 8.564 1.00 23.34 H new ATOM 0 HG22 VAL A 86 14.967 -6.410 9.646 1.00 23.34 H new ATOM 0 HG23 VAL A 86 15.515 -4.769 10.062 1.00 23.34 H new ATOM 1265 N VAL A 87 17.810 -8.483 12.689 1.00 71.11 N ATOM 1266 CA VAL A 87 18.898 -9.190 13.354 1.00 41.12 C ATOM 1267 C VAL A 87 19.957 -9.636 12.352 1.00 71.22 C ATOM 1268 O VAL A 87 19.642 -10.250 11.332 1.00 43.43 O ATOM 1269 CB VAL A 87 18.381 -10.422 14.121 1.00 43.32 C ATOM 1270 CG1 VAL A 87 19.527 -11.131 14.826 1.00 22.10 C ATOM 1271 CG2 VAL A 87 17.302 -10.017 15.114 1.00 44.53 C ATOM 0 H VAL A 87 17.060 -9.086 12.351 1.00 71.11 H new ATOM 0 HA VAL A 87 19.343 -8.491 14.062 1.00 41.12 H new ATOM 0 HB VAL A 87 17.941 -11.116 13.405 1.00 43.32 H new ATOM 0 HG11 VAL A 87 19.143 -11.999 15.363 1.00 22.10 H new ATOM 0 HG12 VAL A 87 20.262 -11.456 14.090 1.00 22.10 H new ATOM 0 HG13 VAL A 87 19.999 -10.447 15.532 1.00 22.10 H new ATOM 0 HG21 VAL A 87 16.948 -10.900 15.647 1.00 44.53 H new ATOM 0 HG22 VAL A 87 17.714 -9.303 15.827 1.00 44.53 H new ATOM 0 HG23 VAL A 87 16.470 -9.558 14.580 1.00 44.53 H new ATOM 1281 N PHE A 88 21.214 -9.325 12.649 1.00 11.55 N ATOM 1282 CA PHE A 88 22.321 -9.693 11.774 1.00 33.03 C ATOM 1283 C PHE A 88 23.268 -10.663 12.474 1.00 32.24 C ATOM 1284 O PHE A 88 23.554 -10.520 13.663 1.00 13.40 O ATOM 1285 CB PHE A 88 23.087 -8.444 11.332 1.00 34.43 C ATOM 1286 CG PHE A 88 24.576 -8.572 11.479 1.00 40.43 C ATOM 1287 CD1 PHE A 88 25.318 -9.285 10.552 1.00 62.35 C ATOM 1288 CD2 PHE A 88 25.234 -7.978 12.544 1.00 51.11 C ATOM 1289 CE1 PHE A 88 26.689 -9.404 10.683 1.00 30.01 C ATOM 1290 CE2 PHE A 88 26.604 -8.093 12.680 1.00 4.14 C ATOM 1291 CZ PHE A 88 27.333 -8.808 11.750 1.00 53.24 C ATOM 0 H PHE A 88 21.492 -8.819 13.490 1.00 11.55 H new ATOM 0 HA PHE A 88 21.908 -10.187 10.895 1.00 33.03 H new ATOM 0 HB2 PHE A 88 22.850 -8.232 10.290 1.00 34.43 H new ATOM 0 HB3 PHE A 88 22.744 -7.591 11.917 1.00 34.43 H new ATOM 0 HD1 PHE A 88 24.819 -9.754 9.717 1.00 62.35 H new ATOM 0 HD2 PHE A 88 24.670 -7.419 13.276 1.00 51.11 H new ATOM 0 HE1 PHE A 88 27.256 -9.962 9.952 1.00 30.01 H new ATOM 0 HE2 PHE A 88 27.105 -7.624 13.514 1.00 4.14 H new ATOM 0 HZ PHE A 88 28.404 -8.901 11.857 1.00 53.24 H new ATOM 1301 N SER A 89 23.751 -11.651 11.728 1.00 32.52 N ATOM 1302 CA SER A 89 24.662 -12.649 12.277 1.00 2.41 C ATOM 1303 C SER A 89 25.963 -12.692 11.481 1.00 2.14 C ATOM 1304 O SER A 89 25.973 -12.456 10.273 1.00 12.22 O ATOM 1305 CB SER A 89 24.003 -14.029 12.274 1.00 21.31 C ATOM 1306 OG SER A 89 23.340 -14.281 13.501 1.00 1.40 O ATOM 0 H SER A 89 23.527 -11.782 10.742 1.00 32.52 H new ATOM 0 HA SER A 89 24.894 -12.368 13.304 1.00 2.41 H new ATOM 0 HB2 SER A 89 23.290 -14.093 11.452 1.00 21.31 H new ATOM 0 HB3 SER A 89 24.758 -14.796 12.101 1.00 21.31 H new ATOM 0 HG SER A 89 23.928 -14.037 14.246 1.00 1.40 H new ATOM 1312 N ARG A 90 27.060 -12.995 12.168 1.00 33.34 N ATOM 1313 CA ARG A 90 28.367 -13.069 11.527 1.00 1.43 C ATOM 1314 C ARG A 90 29.048 -14.399 11.833 1.00 64.35 C ATOM 1315 O ARG A 90 29.987 -14.460 12.627 1.00 41.32 O ATOM 1316 CB ARG A 90 29.253 -11.911 11.993 1.00 73.40 C ATOM 1317 CG ARG A 90 30.409 -11.612 11.052 1.00 33.45 C ATOM 1318 CD ARG A 90 31.728 -11.523 11.803 1.00 44.13 C ATOM 1319 NE ARG A 90 32.813 -11.049 10.947 1.00 22.33 N ATOM 1320 CZ ARG A 90 33.982 -10.623 11.412 1.00 43.54 C ATOM 1321 NH1 ARG A 90 34.217 -10.611 12.717 1.00 53.45 N ATOM 1322 NH2 ARG A 90 34.920 -10.207 10.570 1.00 41.01 N ATOM 0 H ARG A 90 27.069 -13.193 13.169 1.00 33.34 H new ATOM 0 HA ARG A 90 28.220 -12.995 10.449 1.00 1.43 H new ATOM 0 HB2 ARG A 90 28.640 -11.016 12.098 1.00 73.40 H new ATOM 0 HB3 ARG A 90 29.651 -12.143 12.981 1.00 73.40 H new ATOM 0 HG2 ARG A 90 30.473 -12.392 10.293 1.00 33.45 H new ATOM 0 HG3 ARG A 90 30.222 -10.673 10.530 1.00 33.45 H new ATOM 0 HD2 ARG A 90 31.617 -10.850 12.653 1.00 44.13 H new ATOM 0 HD3 ARG A 90 31.984 -12.504 12.204 1.00 44.13 H new ATOM 0 HE ARG A 90 32.665 -11.045 9.938 1.00 22.33 H new ATOM 0 HH11 ARG A 90 33.499 -10.930 13.367 1.00 53.45 H new ATOM 0 HH12 ARG A 90 35.116 -10.283 13.070 1.00 53.45 H new ATOM 0 HH21 ARG A 90 34.743 -10.214 9.565 1.00 41.01 H new ATOM 0 HH22 ARG A 90 35.818 -9.880 10.928 1.00 41.01 H new ATOM 1336 N ASP A 91 28.569 -15.463 11.197 1.00 41.20 N ATOM 1337 CA ASP A 91 29.132 -16.793 11.400 1.00 52.22 C ATOM 1338 C ASP A 91 28.897 -17.270 12.830 1.00 50.14 C ATOM 1339 O ASP A 91 29.811 -17.763 13.488 1.00 25.14 O ATOM 1340 CB ASP A 91 30.630 -16.789 11.090 1.00 54.22 C ATOM 1341 CG ASP A 91 30.989 -15.815 9.985 1.00 65.33 C ATOM 1342 OD1 ASP A 91 30.736 -16.137 8.805 1.00 24.42 O ATOM 1343 OD2 ASP A 91 31.525 -14.732 10.299 1.00 1.33 O ATOM 0 H ASP A 91 27.792 -15.430 10.537 1.00 41.20 H new ATOM 0 HA ASP A 91 28.630 -17.481 10.720 1.00 52.22 H new ATOM 0 HB2 ASP A 91 31.184 -16.531 11.992 1.00 54.22 H new ATOM 0 HB3 ASP A 91 30.941 -17.793 10.801 1.00 54.22 H new ATOM 1348 N GLY A 92 27.664 -17.118 13.304 1.00 61.30 N ATOM 1349 CA GLY A 92 27.332 -17.537 14.653 1.00 75.30 C ATOM 1350 C GLY A 92 27.278 -16.375 15.624 1.00 14.04 C ATOM 1351 O GLY A 92 26.768 -16.509 16.737 1.00 23.41 O ATOM 0 H GLY A 92 26.890 -16.712 12.778 1.00 61.30 H new ATOM 0 HA2 GLY A 92 26.368 -18.045 14.645 1.00 75.30 H new ATOM 0 HA3 GLY A 92 28.071 -18.260 14.998 1.00 75.30 H new ATOM 1355 N VAL A 93 27.806 -15.230 15.204 1.00 10.35 N ATOM 1356 CA VAL A 93 27.817 -14.039 16.046 1.00 54.24 C ATOM 1357 C VAL A 93 26.416 -13.454 16.188 1.00 71.02 C ATOM 1358 O VAL A 93 25.633 -13.450 15.237 1.00 25.03 O ATOM 1359 CB VAL A 93 28.757 -12.959 15.478 1.00 54.03 C ATOM 1360 CG1 VAL A 93 28.725 -11.712 16.348 1.00 10.10 C ATOM 1361 CG2 VAL A 93 30.174 -13.498 15.355 1.00 11.22 C ATOM 0 H VAL A 93 28.232 -15.102 14.286 1.00 10.35 H new ATOM 0 HA VAL A 93 28.180 -14.347 17.026 1.00 54.24 H new ATOM 0 HB VAL A 93 28.409 -12.686 14.482 1.00 54.03 H new ATOM 0 HG11 VAL A 93 29.395 -10.960 15.931 1.00 10.10 H new ATOM 0 HG12 VAL A 93 27.710 -11.316 16.379 1.00 10.10 H new ATOM 0 HG13 VAL A 93 29.047 -11.965 17.358 1.00 10.10 H new ATOM 0 HG21 VAL A 93 30.825 -12.722 14.952 1.00 11.22 H new ATOM 0 HG22 VAL A 93 30.535 -13.800 16.338 1.00 11.22 H new ATOM 0 HG23 VAL A 93 30.179 -14.359 14.686 1.00 11.22 H new ATOM 1371 N VAL A 94 26.105 -12.960 17.382 1.00 4.31 N ATOM 1372 CA VAL A 94 24.799 -12.370 17.649 1.00 31.13 C ATOM 1373 C VAL A 94 24.914 -10.871 17.904 1.00 20.41 C ATOM 1374 O VAL A 94 25.491 -10.444 18.903 1.00 24.13 O ATOM 1375 CB VAL A 94 24.120 -13.035 18.862 1.00 64.24 C ATOM 1376 CG1 VAL A 94 22.783 -12.373 19.155 1.00 73.23 C ATOM 1377 CG2 VAL A 94 23.945 -14.527 18.621 1.00 30.03 C ATOM 0 H VAL A 94 26.740 -12.957 18.180 1.00 4.31 H new ATOM 0 HA VAL A 94 24.189 -12.539 16.762 1.00 31.13 H new ATOM 0 HB VAL A 94 24.761 -12.903 19.734 1.00 64.24 H new ATOM 0 HG11 VAL A 94 22.318 -12.856 20.015 1.00 73.23 H new ATOM 0 HG12 VAL A 94 22.940 -11.317 19.373 1.00 73.23 H new ATOM 0 HG13 VAL A 94 22.131 -12.471 18.287 1.00 73.23 H new ATOM 0 HG21 VAL A 94 23.464 -14.982 19.487 1.00 30.03 H new ATOM 0 HG22 VAL A 94 23.325 -14.683 17.738 1.00 30.03 H new ATOM 0 HG23 VAL A 94 24.921 -14.987 18.465 1.00 30.03 H new ATOM 1387 N MET A 95 24.360 -10.078 16.993 1.00 10.35 N ATOM 1388 CA MET A 95 24.399 -8.625 17.121 1.00 61.53 C ATOM 1389 C MET A 95 23.123 -7.997 16.569 1.00 45.12 C ATOM 1390 O MET A 95 22.420 -8.604 15.762 1.00 34.52 O ATOM 1391 CB MET A 95 25.618 -8.061 16.389 1.00 51.43 C ATOM 1392 CG MET A 95 25.965 -6.638 16.795 1.00 42.40 C ATOM 1393 SD MET A 95 26.501 -6.517 18.512 1.00 14.35 S ATOM 1394 CE MET A 95 28.106 -7.307 18.423 1.00 13.42 C ATOM 0 H MET A 95 23.879 -10.416 16.159 1.00 10.35 H new ATOM 0 HA MET A 95 24.475 -8.379 18.180 1.00 61.53 H new ATOM 0 HB2 MET A 95 26.477 -8.705 16.581 1.00 51.43 H new ATOM 0 HB3 MET A 95 25.432 -8.089 15.315 1.00 51.43 H new ATOM 0 HG2 MET A 95 26.754 -6.261 16.145 1.00 42.40 H new ATOM 0 HG3 MET A 95 25.095 -5.999 16.644 1.00 42.40 H new ATOM 0 HE1 MET A 95 28.681 -7.065 19.317 1.00 13.42 H new ATOM 0 HE2 MET A 95 27.977 -8.387 18.356 1.00 13.42 H new ATOM 0 HE3 MET A 95 28.639 -6.950 17.542 1.00 13.42 H new ATOM 1404 N SER A 96 22.832 -6.777 17.009 1.00 33.10 N ATOM 1405 CA SER A 96 21.638 -6.068 16.562 1.00 64.21 C ATOM 1406 C SER A 96 22.009 -4.899 15.654 1.00 21.41 C ATOM 1407 O SER A 96 22.920 -4.129 15.956 1.00 23.41 O ATOM 1408 CB SER A 96 20.840 -5.561 17.764 1.00 30.45 C ATOM 1409 OG SER A 96 21.620 -4.688 18.563 1.00 73.10 O ATOM 0 H SER A 96 23.406 -6.259 17.674 1.00 33.10 H new ATOM 0 HA SER A 96 21.022 -6.766 15.995 1.00 64.21 H new ATOM 0 HB2 SER A 96 19.946 -5.041 17.418 1.00 30.45 H new ATOM 0 HB3 SER A 96 20.505 -6.407 18.365 1.00 30.45 H new ATOM 0 HG SER A 96 21.087 -4.376 19.324 1.00 73.10 H new ATOM 1415 N ALA A 97 21.295 -4.774 14.540 1.00 24.20 N ATOM 1416 CA ALA A 97 21.547 -3.699 13.588 1.00 32.24 C ATOM 1417 C ALA A 97 20.242 -3.153 13.019 1.00 34.33 C ATOM 1418 O ALA A 97 19.317 -3.910 12.720 1.00 24.22 O ATOM 1419 CB ALA A 97 22.450 -4.188 12.466 1.00 24.32 C ATOM 0 H ALA A 97 20.538 -5.404 14.275 1.00 24.20 H new ATOM 0 HA ALA A 97 22.050 -2.889 14.117 1.00 32.24 H new ATOM 0 HB1 ALA A 97 22.629 -3.375 11.763 1.00 24.32 H new ATOM 0 HB2 ALA A 97 23.400 -4.523 12.883 1.00 24.32 H new ATOM 0 HB3 ALA A 97 21.969 -5.017 11.947 1.00 24.32 H new ATOM 1425 N THR A 98 20.171 -1.834 12.872 1.00 4.23 N ATOM 1426 CA THR A 98 18.979 -1.186 12.341 1.00 73.41 C ATOM 1427 C THR A 98 19.108 -0.941 10.842 1.00 51.00 C ATOM 1428 O THR A 98 20.094 -0.366 10.381 1.00 62.15 O ATOM 1429 CB THR A 98 18.705 0.155 13.048 1.00 65.25 C ATOM 1430 OG1 THR A 98 18.817 -0.007 14.466 1.00 63.11 O ATOM 1431 CG2 THR A 98 17.320 0.677 12.699 1.00 11.44 C ATOM 0 H THR A 98 20.927 -1.193 13.114 1.00 4.23 H new ATOM 0 HA THR A 98 18.144 -1.862 12.525 1.00 73.41 H new ATOM 0 HB THR A 98 19.445 0.879 12.707 1.00 65.25 H new ATOM 0 HG1 THR A 98 18.643 0.850 14.908 1.00 63.11 H new ATOM 0 HG21 THR A 98 17.149 1.625 13.210 1.00 11.44 H new ATOM 0 HG22 THR A 98 17.249 0.827 11.622 1.00 11.44 H new ATOM 0 HG23 THR A 98 16.568 -0.046 13.015 1.00 11.44 H new ATOM 1439 N ILE A 99 18.106 -1.379 10.087 1.00 62.30 N ATOM 1440 CA ILE A 99 18.108 -1.205 8.640 1.00 40.11 C ATOM 1441 C ILE A 99 17.093 -0.150 8.212 1.00 63.20 C ATOM 1442 O ILE A 99 15.884 -0.355 8.323 1.00 64.00 O ATOM 1443 CB ILE A 99 17.796 -2.526 7.913 1.00 34.42 C ATOM 1444 CG1 ILE A 99 18.762 -3.623 8.365 1.00 21.10 C ATOM 1445 CG2 ILE A 99 17.872 -2.333 6.406 1.00 23.11 C ATOM 1446 CD1 ILE A 99 18.513 -4.959 7.701 1.00 63.13 C ATOM 0 H ILE A 99 17.283 -1.857 10.453 1.00 62.30 H new ATOM 0 HA ILE A 99 19.110 -0.876 8.363 1.00 40.11 H new ATOM 0 HB ILE A 99 16.782 -2.833 8.169 1.00 34.42 H new ATOM 0 HG12 ILE A 99 19.783 -3.306 8.154 1.00 21.10 H new ATOM 0 HG13 ILE A 99 18.683 -3.743 9.445 1.00 21.10 H new ATOM 0 HG21 ILE A 99 17.649 -3.276 5.907 1.00 23.11 H new ATOM 0 HG22 ILE A 99 17.147 -1.579 6.099 1.00 23.11 H new ATOM 0 HG23 ILE A 99 18.875 -2.005 6.131 1.00 23.11 H new ATOM 0 HD11 ILE A 99 19.235 -5.688 8.069 1.00 63.13 H new ATOM 0 HD12 ILE A 99 17.504 -5.298 7.933 1.00 63.13 H new ATOM 0 HD13 ILE A 99 18.621 -4.855 6.621 1.00 63.13 H new ATOM 1458 N VAL A 100 17.593 0.979 7.720 1.00 2.13 N ATOM 1459 CA VAL A 100 16.731 2.066 7.272 1.00 34.23 C ATOM 1460 C VAL A 100 16.639 2.103 5.751 1.00 75.20 C ATOM 1461 O VAL A 100 17.527 2.625 5.077 1.00 74.11 O ATOM 1462 CB VAL A 100 17.237 3.430 7.778 1.00 20.53 C ATOM 1463 CG1 VAL A 100 16.943 3.592 9.262 1.00 75.32 C ATOM 1464 CG2 VAL A 100 18.725 3.580 7.502 1.00 4.52 C ATOM 0 H VAL A 100 18.591 1.165 7.622 1.00 2.13 H new ATOM 0 HA VAL A 100 15.742 1.877 7.689 1.00 34.23 H new ATOM 0 HB VAL A 100 16.709 4.217 7.240 1.00 20.53 H new ATOM 0 HG11 VAL A 100 17.308 4.561 9.601 1.00 75.32 H new ATOM 0 HG12 VAL A 100 15.868 3.530 9.429 1.00 75.32 H new ATOM 0 HG13 VAL A 100 17.443 2.801 9.820 1.00 75.32 H new ATOM 0 HG21 VAL A 100 19.067 4.549 7.866 1.00 4.52 H new ATOM 0 HG22 VAL A 100 19.272 2.787 8.013 1.00 4.52 H new ATOM 0 HG23 VAL A 100 18.905 3.511 6.429 1.00 4.52 H new ATOM 1474 N VAL A 101 15.557 1.545 5.215 1.00 2.43 N ATOM 1475 CA VAL A 101 15.347 1.516 3.773 1.00 63.23 C ATOM 1476 C VAL A 101 14.531 2.718 3.311 1.00 35.54 C ATOM 1477 O VAL A 101 13.344 2.830 3.618 1.00 5.02 O ATOM 1478 CB VAL A 101 14.631 0.224 3.336 1.00 30.02 C ATOM 1479 CG1 VAL A 101 14.392 0.227 1.834 1.00 11.30 C ATOM 1480 CG2 VAL A 101 15.435 -0.998 3.754 1.00 43.13 C ATOM 0 H VAL A 101 14.813 1.107 5.758 1.00 2.43 H new ATOM 0 HA VAL A 101 16.333 1.551 3.309 1.00 63.23 H new ATOM 0 HB VAL A 101 13.662 0.181 3.833 1.00 30.02 H new ATOM 0 HG11 VAL A 101 13.885 -0.694 1.544 1.00 11.30 H new ATOM 0 HG12 VAL A 101 13.772 1.082 1.566 1.00 11.30 H new ATOM 0 HG13 VAL A 101 15.347 0.294 1.314 1.00 11.30 H new ATOM 0 HG21 VAL A 101 14.914 -1.902 3.437 1.00 43.13 H new ATOM 0 HG22 VAL A 101 16.419 -0.963 3.287 1.00 43.13 H new ATOM 0 HG23 VAL A 101 15.548 -1.006 4.838 1.00 43.13 H new ATOM 1490 N GLY A 102 15.174 3.615 2.571 1.00 63.11 N ATOM 1491 CA GLY A 102 14.492 4.797 2.078 1.00 10.24 C ATOM 1492 C GLY A 102 14.412 4.832 0.565 1.00 34.01 C ATOM 1493 O GLY A 102 15.256 5.438 -0.093 1.00 41.23 O ATOM 0 H GLY A 102 16.156 3.544 2.304 1.00 63.11 H new ATOM 0 HA2 GLY A 102 13.485 4.831 2.493 1.00 10.24 H new ATOM 0 HA3 GLY A 102 15.012 5.687 2.432 1.00 10.24 H new ATOM 1497 N GLU A 103 13.394 4.179 0.013 1.00 62.43 N ATOM 1498 CA GLU A 103 13.209 4.136 -1.433 1.00 63.20 C ATOM 1499 C GLU A 103 12.661 5.462 -1.951 1.00 11.31 C ATOM 1500 O GLU A 103 13.117 5.980 -2.972 1.00 34.43 O ATOM 1501 CB GLU A 103 12.263 2.996 -1.815 1.00 15.00 C ATOM 1502 CG GLU A 103 12.557 1.692 -1.093 1.00 4.01 C ATOM 1503 CD GLU A 103 13.890 1.091 -1.496 1.00 32.44 C ATOM 1504 OE1 GLU A 103 14.628 1.745 -2.262 1.00 72.41 O ATOM 1505 OE2 GLU A 103 14.195 -0.033 -1.045 1.00 75.40 O ATOM 0 H GLU A 103 12.686 3.673 0.545 1.00 62.43 H new ATOM 0 HA GLU A 103 14.182 3.960 -1.893 1.00 63.20 H new ATOM 0 HB2 GLU A 103 11.238 3.298 -1.599 1.00 15.00 H new ATOM 0 HB3 GLU A 103 12.326 2.828 -2.890 1.00 15.00 H new ATOM 0 HG2 GLU A 103 12.552 1.867 -0.017 1.00 4.01 H new ATOM 0 HG3 GLU A 103 11.762 0.977 -1.303 1.00 4.01 H new ATOM 1512 N LEU A 104 11.680 6.008 -1.241 1.00 33.44 N ATOM 1513 CA LEU A 104 11.067 7.274 -1.627 1.00 64.15 C ATOM 1514 C LEU A 104 12.004 8.443 -1.337 1.00 72.44 C ATOM 1515 O LEU A 104 12.594 8.524 -0.261 1.00 13.53 O ATOM 1516 CB LEU A 104 9.744 7.470 -0.887 1.00 15.33 C ATOM 1517 CG LEU A 104 8.475 7.181 -1.690 1.00 64.34 C ATOM 1518 CD1 LEU A 104 8.047 5.733 -1.508 1.00 14.12 C ATOM 1519 CD2 LEU A 104 7.356 8.126 -1.280 1.00 0.24 C ATOM 0 H LEU A 104 11.292 5.593 -0.394 1.00 33.44 H new ATOM 0 HA LEU A 104 10.874 7.244 -2.699 1.00 64.15 H new ATOM 0 HB2 LEU A 104 9.746 6.829 -0.005 1.00 15.33 H new ATOM 0 HB3 LEU A 104 9.699 8.500 -0.532 1.00 15.33 H new ATOM 0 HG LEU A 104 8.691 7.345 -2.746 1.00 64.34 H new ATOM 0 HD11 LEU A 104 7.142 5.545 -2.087 1.00 14.12 H new ATOM 0 HD12 LEU A 104 8.842 5.072 -1.853 1.00 14.12 H new ATOM 0 HD13 LEU A 104 7.849 5.542 -0.453 1.00 14.12 H new ATOM 0 HD21 LEU A 104 6.461 7.905 -1.862 1.00 0.24 H new ATOM 0 HD22 LEU A 104 7.140 7.996 -0.220 1.00 0.24 H new ATOM 0 HD23 LEU A 104 7.663 9.155 -1.464 1.00 0.24 H new ATOM 1531 N GLU A 105 12.133 9.345 -2.305 1.00 12.11 N ATOM 1532 CA GLU A 105 12.997 10.510 -2.152 1.00 35.03 C ATOM 1533 C GLU A 105 12.312 11.589 -1.318 1.00 54.32 C ATOM 1534 O GLU A 105 11.849 11.329 -0.208 1.00 4.52 O ATOM 1535 CB GLU A 105 13.378 11.074 -3.522 1.00 72.31 C ATOM 1536 CG GLU A 105 14.836 11.487 -3.626 1.00 2.21 C ATOM 1537 CD GLU A 105 15.173 12.667 -2.735 1.00 31.02 C ATOM 1538 OE1 GLU A 105 14.420 13.663 -2.761 1.00 12.04 O ATOM 1539 OE2 GLU A 105 16.189 12.595 -2.012 1.00 73.32 O ATOM 0 H GLU A 105 11.651 9.292 -3.202 1.00 12.11 H new ATOM 0 HA GLU A 105 13.902 10.194 -1.633 1.00 35.03 H new ATOM 0 HB2 GLU A 105 13.166 10.325 -4.285 1.00 72.31 H new ATOM 0 HB3 GLU A 105 12.748 11.937 -3.738 1.00 72.31 H new ATOM 0 HG2 GLU A 105 15.469 10.641 -3.358 1.00 2.21 H new ATOM 0 HG3 GLU A 105 15.065 11.741 -4.661 1.00 2.21 H new TER 1546 GLU A 105